(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C23H20F3NO — CID 132528343

IUPAC(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@]1(c2ccccc2)CCN(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F3NO/c24-23(25,26)19-13-11-17(12-14-19)21-22(28,18-7-3-1-4-8-18)15-16-27(21)20-9-5-2-6-10-20/h1-14,21,28H,15-16H2/t21-,22+/m1/s1
InChIKeyWUYLDRFCNAKLCF-YADHBBJMSA-N
MW383.41 g/mol
LogP5.54
Rot. Bonds3

About (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 132528343) has the molecular formula C23H20F3NO and a molecular weight of 383.41 g/mol. Its IUPAC name is (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID132528343
Molecular FormulaC23H20F3NO
Molecular Weight383.41 g/mol
Exact Mass383.15
IUPAC Name(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@]1(c2ccccc2)CCN(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F3NO/c24-23(25,26)19-13-11-17(12-14-19)21-22(28,18-7-3-1-4-8-18)15-16-27(21)20-9-5-2-6-10-20/h1-14,21,28H,15-16H2/t21-,22+/m1/s1
InChIKeyWUYLDRFCNAKLCF-YADHBBJMSA-N
XLogP5.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 177455156
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365916
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
CID 21149890
(4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 57445749
6-methoxycarbonyl-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrimidine-5-carboxylic acid
CID 141267092
(1R,5S,7S)-5-phenyl-7-[4-(trifluoromethyl)phenyl]-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 102277256
4-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]-4-phenylpiperidine-1-carboxylic acid
CID 22240549
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
(2R)-1-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylic acid
CID 135081163
(3aR,6S,6aS)-6a-methyl-6-phenyl-1-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole
CID 56953948

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 132528343) is (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is O[C@]1(c2ccccc2)CCN(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is WUYLDRFCNAKLCF-YADHBBJMSA-N. The full InChI is InChI=1S/C23H20F3NO/c24-23(25,26)19-13-11-17(12-14-19)21-22(28,18-7-3-1-4-8-18)15-16-27(21)20-9-5-2-6-10-20/h1-14,21,28H,15-16H2/t21-,22+/m1/s1.
What are the key properties of (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 383.41 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 132528343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).