2-phenyl-5-(trifluoromethyl)benzonitrile

C14H8F3N — CID 46314754

IUPAC2-phenyl-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C14H8F3N/c15-14(16,17)12-6-7-13(11(8-12)9-18)10-4-2-1-3-5-10/h1-8H
InChIKeyGOWXSKSSMCPGEQ-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.24
Rot. Bonds1

About 2-phenyl-5-(trifluoromethyl)benzonitrile

2-phenyl-5-(trifluoromethyl)benzonitrile (PubChem CID 46314754) has the molecular formula C14H8F3N and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethyl)benzonitrile
PubChem CID46314754
Molecular FormulaC14H8F3N
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name2-phenyl-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C14H8F3N/c15-14(16,17)12-6-7-13(11(8-12)9-18)10-4-2-1-3-5-10/h1-8H
InChIKeyGOWXSKSSMCPGEQ-UHFFFAOYSA-N
XLogP4.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-5-(trifluoromethyl)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-phenyl-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-phenyl-5-(trifluoromethyl)benzonitrile (CID 46314754) is 2-phenyl-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-phenyl-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-phenyl-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-(trifluoromethyl)benzonitrile?
The InChIKey is GOWXSKSSMCPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N/c15-14(16,17)12-6-7-13(11(8-12)9-18)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 2-phenyl-5-(trifluoromethyl)benzonitrile?
2-phenyl-5-(trifluoromethyl)benzonitrile has a molecular weight of 247.22 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 46314754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).