4,4,4-Trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)butan-1-one
Basic information
- CAS
34844-28-5- Standard SMILES
COc1ccc(C(=O)C(C)C(O)(C(F)(F)F)C(F)(F)F)cc1- InChIKey
CASCBMMYEZKDFR-UHFFFAOYSA-N- Molecular formula
- C13H12F6O3
- Average molar mass
- 330.22 g/mol
- Monoisotopic mass
- 330.06906321
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)butan-1-one
- IUPAC
- 4,4,4-trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)butan-1-one
Names & synonyms
34844-28-54,4,4-trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)butan-1-oneNSC162186DTXSID00303806NSC-1621861-Butanone, 4,4,4-trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)-
Database identifiers
- CAS
34844-28-5- PubChem CID
- 294182
- DTXSID
DTXSID00303806
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
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Related reactions
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Compound notes
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