(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol

C8H8F3NO — CID 96823406

IUPAC(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
SMILESO[C@@H](Cc1ccncc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2/t7-/m0/s1
InChIKeyMMDRDAFWWYWCGO-ZETCQYMHSA-N
MW191.15 g/mol
LogP1.55
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol

(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol (PubChem CID 96823406) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
PubChem CID96823406
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
SMILESO[C@@H](Cc1ccncc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2/t7-/m0/s1
InChIKeyMMDRDAFWWYWCGO-ZETCQYMHSA-N
XLogP1.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1,1,1-trifluoro-3-methyl-4-pyridin-4-ylbutan-2-one
CID 132934559
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
1,1,1-trifluoro-N-propan-2-yl-3-pyridin-4-ylpropan-2-amine
CID 115705515
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
CID 44514042

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol (CID 96823406) is (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol is O[C@@H](Cc1ccncc1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol?
The InChIKey is MMDRDAFWWYWCGO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2/t7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol?
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol has a molecular weight of 191.15 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 96823406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).