(2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile

C12H11F3N2O — CID 102131951

IUPAC(2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile
SMILESN#C[C@]1(c2ccccc2)C[C@@H](C(F)(F)F)CN1O
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)10-6-11(8-16,17(18)7-10)9-4-2-1-3-5-9/h1-5,10,18H,6-7H2/t10-,11+/m1/s1
InChIKeyAKMCWWFMOYEIRO-MNOVXSKESA-N
MW256.23 g/mol
LogP2.68
Rot. Bonds1

About (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile

(2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile (PubChem CID 102131951) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile
PubChem CID102131951
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name(2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile
SMILESN#C[C@]1(c2ccccc2)C[C@@H](C(F)(F)F)CN1O
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)10-6-11(8-16,17(18)7-10)9-4-2-1-3-5-9/h1-5,10,18H,6-7H2/t10-,11+/m1/s1
InChIKeyAKMCWWFMOYEIRO-MNOVXSKESA-N
XLogP2.68
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(Tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carbonitrile
CID 58249668
p-Fluorophenylpyrrolidinol
CID 146681454
2-Phenyl-2-(1-pyrrolidinyl)-6-heptenenitrile
CID 360979
1-Benzyl-2-(cyanomethyl)-2-(trifluoromethyl)pyrrolidine
CID 122203003
(3S,4R)-1-(tert-Butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carbonitrile
CID 11219272
[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl] 2,2,2-trifluoroacetate
CID 66691685
3-(2,4-Difluorophenyl)-1-hydroxypyrrolidine
CID 67173870
3-(2,3-Difluorophenyl)-1-hydroxypyrrolidine
CID 67174403
3-(3,4-Difluorophenyl)-1-hydroxypyrrolidine
CID 67174662
1-(tert-Butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carbonitrile
CID 67357941
(4R)-1-tert-butyl-4-(2,3,4-trifluorophenyl)pyrrolidine-3-carbonitrile
CID 67891999
(2S)-1-benzyl-4,4-difluoropyrrolidine-2-carbonitrile
CID 69864066

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile?
The IUPAC name of (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile (CID 102131951) is (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile is N#C[C@]1(c2ccccc2)C[C@@H](C(F)(F)F)CN1O.
What is the InChIKey of (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile?
The InChIKey is AKMCWWFMOYEIRO-MNOVXSKESA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)10-6-11(8-16,17(18)7-10)9-4-2-1-3-5-9/h1-5,10,18H,6-7H2/t10-,11+/m1/s1.
What are the key properties of (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile?
(2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-hydroxy-2-phenyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 102131951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).