6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine

C11H8F3N — CID 130181944

IUPAC6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine
SMILESFc1ccc(C2=CC(F)CC=N2)c(F)c1
InChIInChI=1S/C11H8F3N/c12-7-1-2-9(10(14)5-7)11-6-8(13)3-4-15-11/h1-2,4-6,8H,3H2
InChIKeyCOMRMJWZVOQJFR-UHFFFAOYSA-N
MW211.19 g/mol
LogP3.12
Rot. Bonds1

About 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine

6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine (PubChem CID 130181944) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine
PubChem CID130181944
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine
SMILESFc1ccc(C2=CC(F)CC=N2)c(F)c1
InChIInChI=1S/C11H8F3N/c12-7-1-2-9(10(14)5-7)11-6-8(13)3-4-15-11/h1-2,4-6,8H,3H2
InChIKeyCOMRMJWZVOQJFR-UHFFFAOYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine 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 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine?
The IUPAC name of 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine (CID 130181944) is 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine?
The canonical SMILES for 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine is Fc1ccc(C2=CC(F)CC=N2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine?
The InChIKey is COMRMJWZVOQJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N/c12-7-1-2-9(10(14)5-7)11-6-8(13)3-4-15-11/h1-2,4-6,8H,3H2.
What are the key properties of 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine?
6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine has a molecular weight of 211.19 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-4-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 130181944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).