Ethyl octylphosphonofluoridate
PubChem CID
21080074
Structure
Molecular Formula
Synonyms
- ethyl octylphosphonofluoridate
- 171741-11-0
- DTXSID20610600
- EOPF ester
- SCHEMBL1259200
Molecular Weight
224.25 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-12-05
- Modify:2025-01-18
Chemical Structure Depiction
1-[ethoxy(fluoro)phosphoryl]octane
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H22FO2P/c1-3-5-6-7-8-9-10-14(11,12)13-4-2/h3-10H2,1-2H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
QXGGCRMRWONSSB-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCP(=O)(OCC)F
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H22FO2P
Computed by PubChem 2.1 (PubChem release 2019.06.18)
171741-11-0
- EOPF ester
- ethyl octylphosphonofluoridate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
224.25 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3.7
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
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
224.13414510 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
224.13414510 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
26.3 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
174
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 2010.01.29)
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=QXGGCRMRWONSSB-UHFFFAOYSA-N
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jspethyl octylphosphonofluoridatehttps://ctdbase.org/detail.go?type=chem&acc=C100419
- EPA DSSToxEthyl octylphosphonofluoridatehttps://comptox.epa.gov/dashboard/DTXSID20610600CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- Nature Chemical Biology
- Springer Nature
- WikidataEthyl octylphosphonofluoridatehttps://www.wikidata.org/wiki/Q82510136
- 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.htmlethyl octylphosphonofluoridatehttps://www.ncbi.nlm.nih.gov/mesh/67100419
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389849200https://pubchem.ncbi.nlm.nih.gov/substance/389849200
CONTENTS