4-(4-fluorophenyl)benzonitrile

C13H8FN — CID 1393040

IUPAC4-(4-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C13H8FN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
InChIKeyURIGWZMDTRKUSJ-UHFFFAOYSA-N
MW197.21 g/mol
LogP3.36
Rot. Bonds1

About 4-(4-fluorophenyl)benzonitrile

4-(4-fluorophenyl)benzonitrile (PubChem CID 1393040) has the molecular formula C13H8FN and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-(4-fluorophenyl)benzonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)benzonitrile
PubChem CID1393040
Molecular FormulaC13H8FN
Molecular Weight197.21 g/mol
Exact Mass197.06
IUPAC Name4-(4-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C13H8FN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
InChIKeyURIGWZMDTRKUSJ-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)benzonitrile?
The IUPAC name of 4-(4-fluorophenyl)benzonitrile (CID 1393040) is 4-(4-fluorophenyl)benzonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)benzonitrile?
The canonical SMILES for 4-(4-fluorophenyl)benzonitrile is N#Cc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)benzonitrile?
The InChIKey is URIGWZMDTRKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H.
What are the key properties of 4-(4-fluorophenyl)benzonitrile?
4-(4-fluorophenyl)benzonitrile 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-(4-fluorophenyl)benzonitrile is sourced from PubChem (CID 1393040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).