2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile

C15H12FN — CID 171396152

IUPAC2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile
SMILESCc1cccc(-c2cc(CC#N)ccc2F)c1
InChIInChI=1S/C15H12FN/c1-11-3-2-4-13(9-11)14-10-12(7-8-17)5-6-15(14)16/h2-6,9-10H,7H2,1H3
InChIKeyNFDRSUOYCAILGL-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.87
Rot. Bonds2

About 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile

2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile (PubChem CID 171396152) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile
PubChem CID171396152
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile
SMILESCc1cccc(-c2cc(CC#N)ccc2F)c1
InChIInChI=1S/C15H12FN/c1-11-3-2-4-13(9-11)14-10-12(7-8-17)5-6-15(14)16/h2-6,9-10H,7H2,1H3
InChIKeyNFDRSUOYCAILGL-UHFFFAOYSA-N
XLogP3.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile 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-fluoro-3-(3-methylphenyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile (CID 171396152) is 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile is Cc1cccc(-c2cc(CC#N)ccc2F)c1.
What is the InChIKey of 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile?
The InChIKey is NFDRSUOYCAILGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c1-11-3-2-4-13(9-11)14-10-12(7-8-17)5-6-15(14)16/h2-6,9-10H,7H2,1H3.
What are the key properties of 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile?
2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile has a molecular weight of 225.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile is sourced from PubChem (CID 171396152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).