2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile

C15H11F2N — CID 175435868

IUPAC2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N/c1-10-4-2-3-5-12(10)14(9-18)13-7-6-11(16)8-15(13)17/h2-8,14H,1H3
InChIKeyPZFLMKBVQMEJOD-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.93
Rot. Bonds2

About 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile

2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile (PubChem CID 175435868) has the molecular formula C15H11F2N and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile
PubChem CID175435868
Molecular FormulaC15H11F2N
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N/c1-10-4-2-3-5-12(10)14(9-18)13-7-6-11(16)8-15(13)17/h2-8,14H,1H3
InChIKeyPZFLMKBVQMEJOD-UHFFFAOYSA-N
XLogP3.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,4-difluorophenyl)-2-(2-methylphenyl)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-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile (CID 175435868) is 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile?
The InChIKey is PZFLMKBVQMEJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N/c1-10-4-2-3-5-12(10)14(9-18)13-7-6-11(16)8-15(13)17/h2-8,14H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile?
2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile has a molecular weight of 243.26 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 175435868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).