4-chloro-3-(2,4-difluorophenyl)benzonitrile

C13H6ClF2N — CID 172914923

IUPAC4-chloro-3-(2,4-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(Cl)c(-c2ccc(F)cc2F)c1
InChIInChI=1S/C13H6ClF2N/c14-12-4-1-8(7-17)5-11(12)10-3-2-9(15)6-13(10)16/h1-6H
InChIKeyFJUIICYQLXGICV-UHFFFAOYSA-N
MW249.65 g/mol
LogP4.16
Rot. Bonds1

About 4-chloro-3-(2,4-difluorophenyl)benzonitrile

4-chloro-3-(2,4-difluorophenyl)benzonitrile (PubChem CID 172914923) has the molecular formula C13H6ClF2N and a molecular weight of 249.65 g/mol. Its IUPAC name is 4-chloro-3-(2,4-difluorophenyl)benzonitrile.

Molecular Properties

Compound Name4-chloro-3-(2,4-difluorophenyl)benzonitrile
PubChem CID172914923
Molecular FormulaC13H6ClF2N
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name4-chloro-3-(2,4-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(Cl)c(-c2ccc(F)cc2F)c1
InChIInChI=1S/C13H6ClF2N/c14-12-4-1-8(7-17)5-11(12)10-3-2-9(15)6-13(10)16/h1-6H
InChIKeyFJUIICYQLXGICV-UHFFFAOYSA-N
XLogP4.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
The IUPAC name of 4-chloro-3-(2,4-difluorophenyl)benzonitrile (CID 172914923) is 4-chloro-3-(2,4-difluorophenyl)benzonitrile.
What is the SMILES notation for 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
The canonical SMILES for 4-chloro-3-(2,4-difluorophenyl)benzonitrile is N#Cc1ccc(Cl)c(-c2ccc(F)cc2F)c1.
What is the InChIKey of 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
The InChIKey is FJUIICYQLXGICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N/c14-12-4-1-8(7-17)5-11(12)10-3-2-9(15)6-13(10)16/h1-6H.
What are the key properties of 4-chloro-3-(2,4-difluorophenyl)benzonitrile?
4-chloro-3-(2,4-difluorophenyl)benzonitrile has a molecular weight of 249.65 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-difluorophenyl)benzonitrile is sourced from PubChem (CID 172914923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).