2,2,3,3,4,4,4-Heptafluoro-1-pyrrolidin-1-ylbutan-1-one
Basic information
- CAS
424-54-4- Standard SMILES
O=C(N1CCCC1)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CIAFXLYUEVKNBA-UHFFFAOYSA-N- Molecular formula
- C8H8F7NO
- Average molar mass
- 267.14 g/mol
- Monoisotopic mass
- 267.04941101
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluoro-1-pyrrolidin-1-ylbutan-1-one
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-1-pyrrolidin-1-ylbutan-1-one
Names & synonyms
2,2,3,3,4,4,4-heptafluoro-1-pyrrolidin-1-ylbutan-1-one424-54-4DTXSID20315906RefChem:242587DTXCID90267029NSC2981612,2,3,3,4,4,4-HEPTAFLUORO-1-(PYRROLIDIN-1-YL)BUTAN-1-ONEAKOS003866387NSC-298161NS001094962,2,3,3,4,4,4-H+D1332eptafluoro-1-pyrrolidin-1-ylbutan-1-one
Database identifiers
- CAS
424-54-4- PubChem CID
- 326528
- DTXSID
DTXSID20315906- Nikkaji
- J1.477.966C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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