4-chloro-3-(2,4-difluorophenyl)benzonitrile

C13H6ClF2N — CID 172914923

IUPAC4-chloro-3-(2,4-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(Cl)c(-c2ccc(F)cc2F)c1
InChIInChI=1S/C13H6ClF2N/c14-12-4-1-8(7-17)5-11(12)10-3-2-9(15)6-13(10)16/h1-6H
InChIKeyFJUIICYQLXGICV-UHFFFAOYSA-N
MW249.65 g/mol
LogP4.16
Rot. Bonds1

About 4-chloro-3-(2,4-difluorophenyl)benzonitrile

4-chloro-3-(2,4-difluorophenyl)benzonitrile (PubChem CID 172914923) has the molecular formula C13H6ClF2N and a molecular weight of 249.65 g/mol. Its IUPAC name is 4-chloro-3-(2,4-difluorophenyl)benzonitrile.

Molecular Properties

Compound Name4-chloro-3-(2,4-difluorophenyl)benzonitrile
PubChem CID172914923
Molecular FormulaC13H6ClF2N
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name4-chloro-3-(2,4-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(Cl)c(-c2ccc(F)cc2F)c1
InChIInChI=1S/C13H6ClF2N/c14-12-4-1-8(7-17)5-11(12)10-3-2-9(15)6-13(10)16/h1-6H
InChIKeyFJUIICYQLXGICV-UHFFFAOYSA-N
XLogP4.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-3-(2,4-difluorophenyl)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-chloro-2-fluorophenyl)-4-methylbenzonitrile
CID 172914863
1-chloro-2-(2-chloro-5-ethynylphenyl)-4-fluorobenzene
CID 172653845
4-(2-chloro-3-fluorophenyl)-3-fluorobenzonitrile
CID 142565604
2-(2,4-difluorophenyl)-4-fluorobenzonitrile
CID 172989811
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906
3-(3-chloro-5-fluorophenyl)-4-fluorobenzonitrile
CID 172915301
4-chloro-3-(2-methylphenyl)benzonitrile
CID 172914911
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
N-(2-chloro-4-cyanophenyl)-3-(2,4-difluorophenyl)benzamide
CID 174160226
3-bromo-5-(2,4-difluorophenyl)benzonitrile
CID 171663295
4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
CID 138498827
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
The IUPAC name of 4-chloro-3-(2,4-difluorophenyl)benzonitrile (CID 172914923) is 4-chloro-3-(2,4-difluorophenyl)benzonitrile.
What is the SMILES notation for 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
The canonical SMILES for 4-chloro-3-(2,4-difluorophenyl)benzonitrile is N#Cc1ccc(Cl)c(-c2ccc(F)cc2F)c1.
What is the InChIKey of 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
The InChIKey is FJUIICYQLXGICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N/c14-12-4-1-8(7-17)5-11(12)10-3-2-9(15)6-13(10)16/h1-6H.
What are the key properties of 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
4-chloro-3-(2,4-difluorophenyl)benzonitrile has a molecular weight of 249.65 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-difluorophenyl)benzonitrile is sourced from PubChem (CID 172914923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).