(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol

C20H16F3NO — CID 125488532

IUPAC(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
SMILESO[C@](c1ccccc1)([C@H](c1ccccc1)c1ccccn1)C(F)(F)F
InChIInChI=1S/C20H16F3NO/c21-20(22,23)19(25,16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-24-17/h1-14,18,25H/t18-,19-/m1/s1
InChIKeyPBXIJVVUMPMRIF-RTBURBONSA-N
MW343.35 g/mol
LogP4.66
Rot. Bonds4

About (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol

(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol (PubChem CID 125488532) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
PubChem CID125488532
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
SMILESO[C@](c1ccccc1)([C@H](c1ccccc1)c1ccccn1)C(F)(F)F
InChIInChI=1S/C20H16F3NO/c21-20(22,23)19(25,16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-24-17/h1-14,18,25H/t18-,19-/m1/s1
InChIKeyPBXIJVVUMPMRIF-RTBURBONSA-N
XLogP4.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
CID 125488796
(1R,2S)-2-(4-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488338
(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488175
(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559416
(1R,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-ylpropan-2-ol
CID 125488696
(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559476
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol
CID 95559455
4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
CID 129361874
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol (CID 125488532) is (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol is O[C@](c1ccccc1)([C@H](c1ccccc1)c1ccccn1)C(F)(F)F.
What is the InChIKey of (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
The InChIKey is PBXIJVVUMPMRIF-RTBURBONSA-N. The full InChI is InChI=1S/C20H16F3NO/c21-20(22,23)19(25,16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-24-17/h1-14,18,25H/t18-,19-/m1/s1.
What are the key properties of (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol has a molecular weight of 343.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 125488532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).