Chem
J-GLOBAL ID：200907009369001440   Nikkaji number：J1.171.398J

3β-[4-(Trifluoromethyl)phenyl]cyclohexanone

3β-[4-(トリフルオロメチル)フェニル]シクロヘキサノン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H13F3O
Molecular formula furigana： C13-H13-F3-O
Molecular weight： 242.241
InChI： InChI=1S/C13H13F3O/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(17)8-10/h4-7,10H,1-3,8H2/t10-/m0/s1
InChI key： PXEDGGLZDRNQLK-JTQLQIEISA-N
SMILES： FC(F)(F)c1ccc(cc1)[C@H]1CCCC(=O)C1
Systematic name  (7)：
  • (3S)-3-[4-(トリフルオロメチル)フェニル]シクロヘキサノン
  • (S)-3-[4-(トリフルオロメチル)フェニル]シクロヘキサノン
  • (S)-3β-[4-(トリフルオロメチル)フェニル]シクロヘキサノン
  • 3β-[4-(トリフルオロメチル)フェニル]シクロヘキサノン
  • 3β-[4-(トリフルオロメチル)フェニル]シクロヘキサン-1-オン
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Other name (5)：
  • (3S)-3-[4-(Trifluoromethyl)phenyl]cyclohexanone
  • (S)-3-[4-(Trifluoromethyl)phenyl]cyclohexanone
  • (S)-3β-[4-(Trifluoromethyl)phenyl]cyclohexanone
  • 3β-[4-(Trifluoromethyl)phenyl]cyclohexanone
  • 3β-[4-(Trifluoromethyl)phenyl]cyclohexane-1-one
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