4-fluoro-3-phenylbenzonitrile

C13H8FN — CID 46314741

IUPAC4-fluoro-3-phenylbenzonitrile
SMILESN#Cc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C13H8FN/c14-13-7-6-10(9-15)8-12(13)11-4-2-1-3-5-11/h1-8H
InChIKeyHMBHBNGUHJVICW-UHFFFAOYSA-N
MW197.21 g/mol
LogP3.36
Rot. Bonds1

About 4-fluoro-3-phenylbenzonitrile

4-fluoro-3-phenylbenzonitrile (PubChem CID 46314741) has the molecular formula C13H8FN and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-fluoro-3-phenylbenzonitrile.

Molecular Properties

Compound Name4-fluoro-3-phenylbenzonitrile
PubChem CID46314741
Molecular FormulaC13H8FN
Molecular Weight197.21 g/mol
Exact Mass197.06
IUPAC Name4-fluoro-3-phenylbenzonitrile
SMILESN#Cc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C13H8FN/c14-13-7-6-10(9-15)8-12(13)11-4-2-1-3-5-11/h1-8H
InChIKeyHMBHBNGUHJVICW-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-3-phenylbenzonitrile 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 4-fluoro-3-phenylbenzonitrile?
The IUPAC name of 4-fluoro-3-phenylbenzonitrile (CID 46314741) is 4-fluoro-3-phenylbenzonitrile.
What is the SMILES notation for 4-fluoro-3-phenylbenzonitrile?
The canonical SMILES for 4-fluoro-3-phenylbenzonitrile is N#Cc1ccc(F)c(-c2ccccc2)c1.
What is the InChIKey of 4-fluoro-3-phenylbenzonitrile?
The InChIKey is HMBHBNGUHJVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN/c14-13-7-6-10(9-15)8-12(13)11-4-2-1-3-5-11/h1-8H.
What are the key properties of 4-fluoro-3-phenylbenzonitrile?
4-fluoro-3-phenylbenzonitrile has a molecular weight of 197.21 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-phenylbenzonitrile is sourced from PubChem (CID 46314741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).