4-Fluoromethcathinone
PubChem CID
49853406
Structure
Molecular Formula
Synonyms
- Flephedrone
- 4-Fluoromethcathinone
- 4'-Fluoromethcathinon
- 4-FMC
- UNII-BA88IEZ2HF
Molecular Weight
181.21 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2011-02-14
- Modify:2025-01-25
Description
4-fluoro-N-methylcathinone is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Hallucinogenic substances substance.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Me-DL-Ala-Ph(4-F)
Sequence
A
1-(4-fluorophenyl)-2-(methylamino)propan-1-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
MWKQPIROPJSFRI-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C(=O)C1=CC=C(C=C1)F)NC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H12FNO
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1238 (DEA schedule I controlled substance)
- 4-fluoromethcathinone
- flephedrone
- Flephedrone
- 4-Fluoromethcathinone
- 4'-Fluoromethcathinon
- 4-FMC
- UNII-BA88IEZ2HF
- DEA No. 1238
- BA88IEZ2HF
- 447-40-5
- 1-(4-Fluorophenyl)-2-(methylamino)propan-1-one)
- 4-FLEPHEDRONE
- 1-(4-fluorophenyl)-2-(methylamino)propan-1-one
- 4'-FLUOROMETHCATHINONE
- 4-FLUORO-N-METHYLCATHINONE
- J2.929.933A
- 1-PROPANONE, 1-(4-FLUOROPHENYL)-2-(METHYLAMINO)-
- 4-fluoromethcathinone (4-FMC)
- SCHEMBL14655818
- DTXSID401028417
- AKOS015891214
- PD046485
- NS00008925
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
181.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
181.090292168 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
181.090292168 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
29.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
176
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
139.8 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
130.12 Ų [M+H-H2O]+
139.33 Ų [M+H]+
S61 | UJICCSLIB | Collision Cross Section (CCS) Library from UJI | DOI:10.5281/zenodo.3549476
Semi-standard non-polar
1351.2
NIST Number
417042
Library
Main library
Total Peaks
87
m/z Top Peak
58
m/z 2nd Highest
95
m/z 3rd Highest
30
Thumbnail
NIST Number
379105
Library
Main library
Total Peaks
60
m/z Top Peak
58
m/z 2nd Highest
95
m/z 3rd Highest
56
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Substance
4-fluoro-N-methylcathinone
Synonym(s)
4-FMC|flephedrone
DEA Controlled Substances Code Number
1238
Controlled Substances Act Schedule
Schedule I - Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse.
Class
Hallucinogenic substances
DEA Controlled Substances
DEA schedule I controlled substance
21 CFR Sections 1308.11-1308.15 https://www.ecfr.gov/current/title-21/chapter-II/part-1308
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MWKQPIROPJSFRI-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/4-Fluoromethcathinonehttps://commonchemistry.cas.org/detail?cas_rn=447-40-5
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox1-(4-Fluorophenyl)-2-(methylamino)propan-1-one)https://comptox.epa.gov/dashboard/DTXSID401028417CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- CCSbaseCCSbase Classificationhttps://ccsbase.net/
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/4-fluoromethcathinone (4-FMC)NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Drug Enforcement Administration (DEA)LICENSEUnless otherwise indicated, information on Department of Justice websites is in the public domain and may be copied and distributed without permission. Citation of the Department of Justice as source of the information is appreciated, as appropriate.https://www.justice.gov/legalpolicies4-fluoro-N-methylcathinonehttps://www.deadiversion.usdoj.gov/schedules/DEA drug and chemical classificationhttps://www.dea.gov/drug-information/drug-scheduling
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citingFlephedronehttp://www.hmdb.ca/metabolites/HMDB0252298
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law4-Fluoromethcathinonehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase3-Fluoromethcathinonehttps://spectrabase.com/spectrum/2Q7zx6tdp2Flephedronehttps://spectrabase.com/spectrum/DnFoHUz8L2W4'-FLUOROMETHCATHINONEhttps://spectrabase.com/spectrum/GXdWQj20FxN4-FLUORO-METHCATHINONEhttps://spectrabase.com/spectrum/1zsZNOxJFLH4'-FLUOROMETHCATHINONEhttps://spectrabase.com/spectrum/DUwza6NBjZy
- Springer Nature
- Wikidata(RS)-flephedronehttps://www.wikidata.org/wiki/Q114890579
- WikipediaFlephedronehttps://en.wikipedia.org/wiki/Flephedrone
- Wiley
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html4-fluoromethcathinonehttps://www.ncbi.nlm.nih.gov/mesh/67578181
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 393827889https://pubchem.ncbi.nlm.nih.gov/substance/393827889
- NCBI
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