(1E)-6,6,6-trifluoro-1-phenyl-5-(trifluoromethyl)hexa-1,4-dien-3-one
Basic information
- CAS
35444-14-5- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)/C=C/c1ccccc1- InChIKey
LXNIKNRXUBXSRA-VOTSOKGWSA-N- Molecular formula
- C13H8F6O
- Average molar mass
- 294.19 g/mol
- Monoisotopic mass
- 294.04793385
Names & identifiers
- Preferred name
- (1E)-6,6,6-trifluoro-1-phenyl-5-(trifluoromethyl)hexa-1,4-dien-3-one
- IUPAC
- (1E)-6,6,6-trifluoro-1-phenyl-5-(trifluoromethyl)hexa-1,4-dien-3-one
Names & synonyms
NSC162257NSC-162257
Database identifiers
- CAS
35444-14-5- PubChem CID
- 6160953
- Nikkaji
- J73.683J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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