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

C8H8F3NO — CID 2748409

IUPAC1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-7(13,8(9,10)11)6-3-2-4-12-5-6/h2-5,13H,1H3
InChIKeyYVQAAWJPENZWBU-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.85
Rot. Bonds1

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

1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol (PubChem CID 2748409) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
PubChem CID2748409
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
SMILESCC(O)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-7(13,8(9,10)11)6-3-2-4-12-5-6/h2-5,13H,1H3
InChIKeyYVQAAWJPENZWBU-UHFFFAOYSA-N
XLogP1.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol
CID 151693835
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
tripyridin-3-ylmethanol
CID 177395677
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 127018337
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
2-pyridin-3-ylpropane-2-sulfinic acid
CID 174709525
2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol
CID 162511631
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol (CID 2748409) is 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol is CC(O)(c1cccnc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
The InChIKey is YVQAAWJPENZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-7(13,8(9,10)11)6-3-2-4-12-5-6/h2-5,13H,1H3.
What are the key properties of 1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol has a molecular weight of 191.15 g/mol, XLogP of 1.85, 1 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-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 2748409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).