Phosphonic acid, P-[3-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]propyl]-, diethyl ester
Basic information
- CAS
71463-80-4- Standard SMILES
CCOP(=O)(CCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC- InChIKey
CGWCDHWSHVIYSL-UHFFFAOYSA-N- Molecular formula
- C17H21F17NO5PS
- Average molar mass
- 705.4 g/mol
- Monoisotopic mass
- 705.0606597
Names & identifiers
- Preferred name
- Phosphonic acid, P-[3-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]propyl]-, diethyl ester
- IUPAC
- N-(3-diethoxyphosphorylpropyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
- English name
- N-(3-diethoxyphosphorylpropyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octane-1-sulfonamide
- Molecular formula
- C17H21F17NO5PS
- Molecular weight
- 705.36
Names & synonyms
Phosphonic acid, (3-(ethyl((heptadecafluorooctyl)sulfonyl)amino)propyl)-, diethyl esterPhosphonic acid, [3-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]propyl]-, diethyl esterN-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(3-(diethoxyphosphinyl)propyl)-1-octanesulfonamidePhosphonic acid, P-(3-(ethyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)propyl)-, diethyl esterPhosphonic acid, P-[3-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]propyl]-, diethyl esterRefChem:86220971463-80-4Phosphonic acid,P-[3-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]propyl]-,diethyl esterDTXSID5072355SCHEMBL11353600CGWCDHWSHVIYSL-UHFFFAOYSA-NNS00011359
Show more names
[3-[Ethyl[(heptadecafluorooctyl)sulfonyl]amino]propyl]phosphonic acid diethyl ester
Diethyl [3-(N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamido)propyl]phosphonateN-(3-DIETHOXYPHOSPHORYLPROPYL)-N-ETHYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-OCTANE-1-SULFONAMIDE
Database identifiers
- CAS
71463-80-4- PubChem CID
- 3085472
- DTXSID
DTXSID5072355- Nikkaji
- J446.815E
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,060
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 3 · Phosphonic acid, [3-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]propyl]-, diethyl ester (71463-80-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationPhosphonic acid, P-[3-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]propyl]-, diethyl ester: INACTIVE
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Related reactions
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Compound notes
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