Basic information
- CAS
134330-88-4- Standard SMILES
O=C(/C(F)=C(\F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
OGUAMXMVIRXTMU-OWOJBTEDSA-N- Molecular formula
- C8F14O
- Average molar mass
- 378.06 g/mol
- Monoisotopic mass
- 377.9725589
Names & identifiers
- Preferred name
- (4E)-1,1,1,2,2,4,5,6,7,7,7-Undecafluoro-6-(trifluoromethyl)hept-4-en-3-one
- IUPAC
- (E)-1,1,1,2,2,4,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-4-en-3-one
Names & synonyms
134330-88-4DTXSID80896741(4E)-1,1,1,2,2,4,5,6,7,7,7-UNDECAFLUORO-6-(TRIFLUOROMETHYL)HEPT-4-EN-3-ONERefChem:209087DTXCID201326229(E)-1,1,1,2,2,4,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-4-en-3-onePerfluoro-(2-methylhept-3-ene-5-one)NS00111850
Database identifiers
- CAS
134330-88-4- PubChem CID
- 2776216
- DTXSID
DTXSID80896741
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
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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