Chem
J-GLOBAL ID:200907048625760154   Nikkaji number:J854.932J

(2R,4S)-2-(4-Chlorophenyl)-4-hydroxy-5,5,5-trifluorovaleronitrile

(2R,4S)-2-(4-クロロフェニル)-4-ヒドロキシ-5,5,5-トリフルオロバレロニトリル
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: C11H9ClF3NO
Molecular formula furigana: C11-H9-CL-F3-N-O
Molecular weight: 263.640
InChI: InChI=1S/C11H9ClF3NO/c12-9-3-1-7(2-4-9)8(6-16)5-10(17)11(13,14)15/h1-4,8,10,17H,5H2/t8-,10-/m0/s1
InChI key: LDWDYRYJPCKULP-WPRPVWTQSA-N
SMILES: O[C@@H](C[C@@H](C#N)c1ccc(Cl)cc1)C(F)(F)F
Systematic name  (3):
  • (2R,4S)-2-(4-クロロフェニル)-4-ヒドロキシ-5,5,5-トリフルオロバレロニトリル
  • (2R,4S)-2-(4-クロロフェニル)-5,5,5-トリフルオロ-4-ヒドロキシペンタンニトリル
  • (2R,4S)-2-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentanenitrile
Other name (1):
  • (2R,4S)-2-(4-Chlorophenyl)-4-hydroxy-5,5,5-trifluorovaleronitrile
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