2,6-difluoro-4-(4-methylphenyl)benzonitrile

C14H9F2N — CID 20714839

IUPAC2,6-difluoro-4-(4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1
InChIInChI=1S/C14H9F2N/c1-9-2-4-10(5-3-9)11-6-13(15)12(8-17)14(16)7-11/h2-7H,1H3
InChIKeyRKUBGRRXEUEQQH-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.81
Rot. Bonds1

About 2,6-difluoro-4-(4-methylphenyl)benzonitrile

2,6-difluoro-4-(4-methylphenyl)benzonitrile (PubChem CID 20714839) has the molecular formula C14H9F2N and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,6-difluoro-4-(4-methylphenyl)benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-(4-methylphenyl)benzonitrile
PubChem CID20714839
Molecular FormulaC14H9F2N
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name2,6-difluoro-4-(4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1
InChIInChI=1S/C14H9F2N/c1-9-2-4-10(5-3-9)11-6-13(15)12(8-17)14(16)7-11/h2-7H,1H3
InChIKeyRKUBGRRXEUEQQH-UHFFFAOYSA-N
XLogP3.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-difluoro-4-(4-methylphenyl)benzonitrile 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 2,6-difluoro-4-(4-methylphenyl)benzonitrile?
The IUPAC name of 2,6-difluoro-4-(4-methylphenyl)benzonitrile (CID 20714839) is 2,6-difluoro-4-(4-methylphenyl)benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-(4-methylphenyl)benzonitrile?
The canonical SMILES for 2,6-difluoro-4-(4-methylphenyl)benzonitrile is Cc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1.
What is the InChIKey of 2,6-difluoro-4-(4-methylphenyl)benzonitrile?
The InChIKey is RKUBGRRXEUEQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N/c1-9-2-4-10(5-3-9)11-6-13(15)12(8-17)14(16)7-11/h2-7H,1H3.
What are the key properties of 2,6-difluoro-4-(4-methylphenyl)benzonitrile?
2,6-difluoro-4-(4-methylphenyl)benzonitrile has a molecular weight of 229.23 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(4-methylphenyl)benzonitrile is sourced from PubChem (CID 20714839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).