Basic information
- CAS
35443-92-6- Standard SMILES
Cc1ccc(C(=O)C=C(C(F)(F)F)C(F)(F)F)cc1- InChIKey
GOJNOBNZBMOPNC-UHFFFAOYSA-N- Molecular formula
- C12H8F6O
- Average molar mass
- 282.18 g/mol
- Monoisotopic mass
- 282.04793385
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-1-(4-methylphenyl)-3-(trifluoromethyl)but-2-en-1-one
- IUPAC
- 4,4,4-trifluoro-1-(4-methylphenyl)-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35443-92-64,4,4-trifluoro-1-(4-methylphenyl)-3-(trifluoromethyl)but-2-en-1-oneNSC160229DTXSID50303694NSC-1602292-Buten-1-one, 4,4,4-trifluoro-1-(4-methylphenyl)-3-(trifluoromethyl)-
Database identifiers
- CAS
35443-92-6- PubChem CID
- 293571
- DTXSID
DTXSID50303694
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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