2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile

C15H12FN — CID 172915416

IUPAC2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
SMILESCc1ccc(F)c(-c2cc(C)ccc2C#N)c1
InChIInChI=1S/C15H12FN/c1-10-3-5-12(9-17)13(7-10)14-8-11(2)4-6-15(14)16/h3-8H,1-2H3
InChIKeySSIQWNVAGNOJKV-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.98
Rot. Bonds1

About 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile

2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile (PubChem CID 172915416) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
PubChem CID172915416
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
SMILESCc1ccc(F)c(-c2cc(C)ccc2C#N)c1
InChIInChI=1S/C15H12FN/c1-10-3-5-12(9-17)13(7-10)14-8-11(2)4-6-15(14)16/h3-8H,1-2H3
InChIKeySSIQWNVAGNOJKV-UHFFFAOYSA-N
XLogP3.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile 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

2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
CID 172915420
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile
CID 175892022
5-(5-bromo-2-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828179
4-methyl-2-(4-phosphorosophenyl)benzonitrile
CID 157224244
2-iodo-4-methylbenzonitrile
CID 23395165
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile (CID 172915416) is 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile is Cc1ccc(F)c(-c2cc(C)ccc2C#N)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile?
The InChIKey is SSIQWNVAGNOJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c1-10-3-5-12(9-17)13(7-10)14-8-11(2)4-6-15(14)16/h3-8H,1-2H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile?
2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile has a molecular weight of 225.27 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile is sourced from PubChem (CID 172915416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).