N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclopentanecarboxamide
Basic information
- CAS
1440968-21-7- Standard SMILES
O=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCCC1- InChIKey
FLLDEJHRVFMCRU-UHFFFAOYSA-N- Molecular formula
- C10H10F9NO3S
- Average molar mass
- 395.24 g/mol
- Monoisotopic mass
- 395.02376781
Names & identifiers
- Preferred name
- N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclopentanecarboxamide
- IUPAC
- N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)cyclopentanecarboxamide
Names & synonyms
DTXSID80896201N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclopentanecarboxamide1440968-21-7RefChem:359771DTXCID501325694NS00111797
Database identifiers
- CAS
1440968-21-7- PubChem CID
- 102431398
- DTXSID
DTXSID80896201- Nikkaji
- J3.204.563D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 588
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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