4,4,4-Trifluoro-1-(4-fluorophenyl)-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
Basic information
- CAS
34844-25-2- Standard SMILES
CC(C(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
GDHHBYAWFWLHMU-UHFFFAOYSA-N- Molecular formula
- C12H9F7O2
- Average molar mass
- 318.19 g/mol
- Monoisotopic mass
- 318.04907666
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-1-(4-fluorophenyl)-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
- IUPAC
- 4,4,4-trifluoro-1-(4-fluorophenyl)-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
Names & synonyms
34844-25-24,4,4-trifluoro-1-(4-fluorophenyl)-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-oneNSC162191DTXSID20303808NSC-1621911-Butanone, 4,4,4-trifluoro-1-(4-fluorophenyl)-3-hydroxy-2-methyl-3-(trifluoromethyl)-?
Database identifiers
- CAS
34844-25-2- PubChem CID
- 294186
- DTXSID
DTXSID20303808
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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