Chem
J-GLOBAL ID：201307061264775274   Nikkaji number：J3.195.198D

PF-998425

4-[(1R,2R)-2-ヒドロキシシクロヘキシル]-2-(トリフルオロメチル)ベンゾニトリル
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： C14H14F3NO
Molecular formula furigana： C14-H14-F3-N-O
Molecular weight： 269.267
InChI： InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1
InChI key： MENRRRXHFQYXDW-DGCLKSJQSA-N
SMILES： O[C@@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F
Systematic name  (3)：
  • 2-(トリフルオロメチル)-4-[(1R)-2α-ヒドロキシシクロヘキサン-1α-イル]ベンゾニトリル
  • 4-[(1R,2R)-2-ヒドロキシシクロヘキシル]-2-(トリフルオロメチル)ベンゾニトリル
  • 4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzonitrile
Other name (2)：
  • 2-(Trifluoromethyl)-4-[(1R)-2α-hydroxycyclohexane-1α-yl]benzonitrile
  • PF-998425
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