1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one

C13H17F2NO — CID 157115266

IUPAC1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C13H17F2NO/c1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11/h3-5,9,11H,6-8H2,1-2H3
InChIKeyZCUKCYFNRQUPLL-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.02
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one

1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157115266) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one
PubChem CID157115266
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C13H17F2NO/c1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11/h3-5,9,11H,6-8H2,1-2H3
InChIKeyZCUKCYFNRQUPLL-UHFFFAOYSA-N
XLogP3.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)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 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one (CID 157115266) is 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one is CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is ZCUKCYFNRQUPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11/h3-5,9,11H,6-8H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one?
1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 241.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157115266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).