4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one

C8H8F3NO2 — CID 156501917

IUPAC4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
SMILESCC(n1ccc(O)cc1=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-5(8(9,10)11)12-3-2-6(13)4-7(12)14/h2-5,13H,1H3
InChIKeyPKHKZDBWHCCWCH-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.68
Rot. Bonds1

About 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one

4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one (PubChem CID 156501917) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
PubChem CID156501917
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
SMILESCC(n1ccc(O)cc1=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-5(8(9,10)11)12-3-2-6(13)4-7(12)14/h2-5,13H,1H3
InChIKeyPKHKZDBWHCCWCH-UHFFFAOYSA-N
XLogP1.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one (CID 156501917) is 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one is CC(n1ccc(O)cc1=O)C(F)(F)F.
What is the InChIKey of 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
The InChIKey is PKHKZDBWHCCWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-5(8(9,10)11)12-3-2-6(13)4-7(12)14/h2-5,13H,1H3.
What are the key properties of 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one?
4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one has a molecular weight of 207.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one is sourced from PubChem (CID 156501917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).