(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol

C20H18FNO — CID 125488175

IUPAC(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
SMILESC[C@@](O)(c1cccc(F)c1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C20H18FNO/c1-20(23,16-10-7-11-17(21)14-16)19(15-8-3-2-4-9-15)18-12-5-6-13-22-18/h2-14,19,23H,1H3/t19-,20+/m0/s1
InChIKeyBLHLLQLDIVUWPI-VQTJNVASSA-N
MW307.37 g/mol
LogP4.26
Rot. Bonds4

About (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol

(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol (PubChem CID 125488175) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
PubChem CID125488175
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC Name(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
SMILESC[C@@](O)(c1cccc(F)c1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C20H18FNO/c1-20(23,16-10-7-11-17(21)14-16)19(15-8-3-2-4-9-15)18-12-5-6-13-22-18/h2-14,19,23H,1H3/t19-,20+/m0/s1
InChIKeyBLHLLQLDIVUWPI-VQTJNVASSA-N
XLogP4.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(4-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488338
(1R,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-ylpropan-2-ol
CID 125488696
(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559416
(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
(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559476
(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
CID 125488532
(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
CID 125488796
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
N-(3-fluorophenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373414
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The IUPAC name of (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol (CID 125488175) is (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol is C[C@@](O)(c1cccc(F)c1)[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The InChIKey is BLHLLQLDIVUWPI-VQTJNVASSA-N. The full InChI is InChI=1S/C20H18FNO/c1-20(23,16-10-7-11-17(21)14-16)19(15-8-3-2-4-9-15)18-12-5-6-13-22-18/h2-14,19,23H,1H3/t19-,20+/m0/s1.
What are the key properties of (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol has a molecular weight of 307.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 125488175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).