2-Fluorohexane
PubChem CID
13620130
Structure
Molecular Formula
Synonyms
- 2-fluorohexane
- 2-fluoro-hexane
- 372-54-3
- Hexane, 2-fluoro-
- SCHEMBL3407796
Molecular Weight
104.17 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-08
- Modify:2025-01-18
Chemical Structure Depiction
2-fluorohexane
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C6H13F/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
KDSVEERUTJJIEW-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCC(C)F
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H13F
Computed by PubChem 2.1 (PubChem release 2019.06.18)
372-54-3
2-fluorohexane
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
104.17 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
2.8
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
104.100128577 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
104.100128577 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
7
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
35.2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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 2019.01.04)
Standard non-polar
668
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)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KDSVEERUTJJIEW-UHFFFAOYSA-N
- EPA DSSTox2-Fluorohexanehttps://comptox.epa.gov/dashboard/DTXSID40545187CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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-lawHexane, 2-fluoro-http://www.nist.gov/srd/nist1a.cfm
- SpectraBase2-FLUOROHEXANEhttps://spectrabase.com/spectrum/2KHwNnJkmrY2-FLUOROHEXANEhttps://spectrabase.com/spectrum/FwCMj0obYAX
- Springer Nature
- SpringerMaterials
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata2-Fluorohexanehttps://www.wikidata.org/wiki/Q82422599
- 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.html2-fluorohexanehttps://www.ncbi.nlm.nih.gov/mesh/67116364
- PATENTSCOPE (WIPO)SID 389331978https://pubchem.ncbi.nlm.nih.gov/substance/389331978
CONTENTS