4-[(2R)-2-[(1R)-2,2,2-Trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-2-(trifluoromethyl)benzonitrile

C₁₄H₁₂F₆N₂OCAS 1165910-22-4338.25 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Nitrile Tertiary amine

Properties

Molecular formula: C₁₄H₁₂F₆N₂O
Molar mass: 338.25 g/mol
Exact mass: 338.0854 Da
logP: 3.47Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

1165910-22-4

SMILES

N#Cc1ccc(N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F

InChIKey

OPSIVAKKLQRWKC-VXGBXAGGSA-N

InChI

InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2/t11-,12-/m1/s1

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Names and synonyms

4 names

Benzonitrile, 4-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-2-(trifluoromethyl)-
LGD 4033
VK 5211
Ligandrol

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Similar compounds

4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile154992-24-240 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-640 % similar 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile143782-23-436 % similar 2-(Trifluoromethyl)benzonitrile447-60-936 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide90357-51-034 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide90357-53-234 % similar 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-733 % similar Enzalutamide carboxylic acid1242137-15-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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