2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one

HCID 294183

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Basic information

CAS: 34844-21-8
Standard SMILES: CCC(C(=O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F
InChIKey: GTJAJNIKWSBPEK-UHFFFAOYSA-N
Molecular formula: C13H12F6O2
Average molar mass: 314.22 g/mol
Monoisotopic mass: 314.07414859

Names & identifiers

Preferred name: 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
IUPAC: 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one

Names & synonyms

34844-21-82-ethyl-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-oneNSC162187DTXSID60303807NSC-1621871-Butanone, 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-

Database identifiers

CAS: 34844-21-8
PubChem CID: 294183
DTXSID: DTXSID60303807

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 354

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