4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile

C20H11FN2 — CID 11849579

IUPAC4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1
InChIInChI=1S/C20H11FN2/c21-20-11-18(16-5-1-14(12-22)2-6-16)9-10-19(20)17-7-3-15(13-23)4-8-17/h1-11H
InChIKeyQNWMMTBAWCNVLE-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.90
Rot. Bonds2

About 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile

4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile (PubChem CID 11849579) has the molecular formula C20H11FN2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile
PubChem CID11849579
Molecular FormulaC20H11FN2
Molecular Weight298.32 g/mol
Exact Mass298.09
IUPAC Name4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1
InChIInChI=1S/C20H11FN2/c21-20-11-18(16-5-1-14(12-22)2-6-16)9-10-19(20)17-7-3-15(13-23)4-8-17/h1-11H
InChIKeyQNWMMTBAWCNVLE-UHFFFAOYSA-N
XLogP4.90
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-cyanophenyl)-3-fluorophenyl]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 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile?
The IUPAC name of 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile (CID 11849579) is 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile.
What is the SMILES notation for 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile?
The canonical SMILES for 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1.
What is the InChIKey of 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile?
The InChIKey is QNWMMTBAWCNVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN2/c21-20-11-18(16-5-1-14(12-22)2-6-16)9-10-19(20)17-7-3-15(13-23)4-8-17/h1-11H.
What are the key properties of 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile?
4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile has a molecular weight of 298.32 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenyl)-3-fluorophenyl]benzonitrile is sourced from PubChem (CID 11849579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).