Basic information
- CAS
134330-91-9- Standard SMILES
O=C(/C(F)=C(\F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
LHQQPWDNJJTKPI-OWOJBTEDSA-N- Molecular formula
- C9F16O
- Average molar mass
- 428.07 g/mol
- Monoisotopic mass
- 427.9693652
Names & identifiers
- Preferred name
- (4E)-1,1,1,2,4,5,6,7,7,7-Decafluoro-2,6-bis(trifluoromethyl)hept-4-en-3-one
- IUPAC
- (E)-1,1,1,2,4,5,6,7,7,7-decafluoro-2,6-bis(trifluoromethyl)hept-4-en-3-one
Names & synonyms
134330-91-9DTXSID00896743(4E)-1,1,1,2,4,5,6,7,7,7-DECAFLUORO-2,6-BIS(TRIFLUOROMETHYL)HEPT-4-EN-3-ONERefChem:209088DTXCID201326231(E)-1,1,1,2,4,5,6,7,7,7-decafluoro-2,6-bis(trifluoromethyl)hept-4-en-3-oneDecafluoro-2,6-bis(trifluoromethyl)-4-hepten-3-oneNS00109085Decafluoro-2,6-bis(trifluoromethyl)-4-hepten-3-one 97%
Database identifiers
- CAS
134330-91-9- PubChem CID
- 2736745
- DTXSID
DTXSID00896743
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Experimental & physicochemical properties
PFASPFAS -> OECD Category
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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