1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol

C20H16F3NO — CID 54181184

IUPAC1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
SMILESOC(c1ccccc1)(C(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
InChIKeyPBXIJVVUMPMRIF-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.66
Rot. Bonds4

About 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol

1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol (PubChem CID 54181184) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
PubChem CID54181184
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
SMILESOC(c1ccccc1)(C(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
InChIKeyPBXIJVVUMPMRIF-UHFFFAOYSA-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

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
SR2211
CID 51035449
Pirmenol
CID 65502
NoName_714
CID 135489221
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
6-(3,4-Difluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033652
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
Isoquinolin-1-yl(phenyl)methanol
CID 2789853

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol (CID 54181184) is 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol is OC(c1ccccc1)(C(c1ccccc1)c1ccccn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
The InChIKey is PBXIJVVUMPMRIF-UHFFFAOYSA-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.
What are the key properties of 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol?
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 1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 54181184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).