2-Pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-
Basic information
- CAS
101931-68-4- Standard SMILES
O=C(Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
HUAFVTMSVNQVEQ-UHFFFAOYSA-N- Molecular formula
- C12H10F6O2
- Average molar mass
- 300.2 g/mol
- Monoisotopic mass
- 300.05849853
Names & identifiers
- Preferred name
- 2-Pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-
- IUPAC
- 5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-one
Names & synonyms
101931-68-42-Pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-DTXSID80144375(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketoneRefChem:264997DTXCID60668665,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-oneNSC168576NSC-1685762-Pentanone, 5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)-4-Hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-2-pentanone
Database identifiers
- CAS
101931-68-4- PubChem CID
- 297435
- DTXSID
DTXSID80144375- Nikkaji
- J65.598H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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