2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine

C12H14F3N — CID 162444423

IUPAC2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine
SMILESCc1cnc(C2CCC(F)(F)CC2)c(F)c1
InChIInChI=1S/C12H14F3N/c1-8-6-10(13)11(16-7-8)9-2-4-12(14,15)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyANOAWLWECKITGL-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.82
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine

2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine (PubChem CID 162444423) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine
PubChem CID162444423
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine
SMILESCc1cnc(C2CCC(F)(F)CC2)c(F)c1
InChIInChI=1S/C12H14F3N/c1-8-6-10(13)11(16-7-8)9-2-4-12(14,15)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyANOAWLWECKITGL-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine 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 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine (CID 162444423) is 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine is Cc1cnc(C2CCC(F)(F)CC2)c(F)c1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine?
The InChIKey is ANOAWLWECKITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8-6-10(13)11(16-7-8)9-2-4-12(14,15)5-3-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine?
2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine has a molecular weight of 229.24 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-3-fluoro-5-methylpyridine is sourced from PubChem (CID 162444423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).