1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one

C11H14F3NO2 — CID 81319408

IUPAC1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)C(O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H14F3NO2/c1-7(2)8(16)6-15-9(11(12,13)14)4-3-5-10(15)17/h3-5,7-8,16H,6H2,1-2H3
InChIKeyWAEKTHNZBRVTQL-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one

1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319408) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319408
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)C(O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H14F3NO2/c1-7(2)8(16)6-15-9(11(12,13)14)4-3-5-10(15)17/h3-5,7-8,16H,6H2,1-2H3
InChIKeyWAEKTHNZBRVTQL-UHFFFAOYSA-N
XLogP1.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319408) is 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one is CC(C)C(O)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is WAEKTHNZBRVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(2)8(16)6-15-9(11(12,13)14)4-3-5-10(15)17/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 249.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylbutyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).