6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
Basic information
- CAS
34844-45-6- Standard SMILES
CC(C)(C)C(=O)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
VPKPKCOMLYEKLF-UHFFFAOYSA-N- Molecular formula
- C9H12F6O2
- Average molar mass
- 266.18 g/mol
- Monoisotopic mass
- 266.07414859
Names & identifiers
- Preferred name
- 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
- IUPAC
- 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
Names & synonyms
34844-45-66,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-oneNSC160252DTXSID90303698NSC-1602523-Hexanone, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)-
Database identifiers
- CAS
34844-45-6- PubChem CID
- 293589
- DTXSID
DTXSID90303698- Nikkaji
- J2.540.580C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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