2-(2,4-difluorophenyl)-4-fluorobenzonitrile

C13H6F3N — CID 172989811

IUPAC2-(2,4-difluorophenyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1ccc(F)cc1F
InChIInChI=1S/C13H6F3N/c14-9-2-1-8(7-17)12(5-9)11-4-3-10(15)6-13(11)16/h1-6H
InChIKeyXZVOJOVZBKTOIP-UHFFFAOYSA-N
MW233.19 g/mol
LogP3.64
Rot. Bonds1

About 2-(2,4-difluorophenyl)-4-fluorobenzonitrile

2-(2,4-difluorophenyl)-4-fluorobenzonitrile (PubChem CID 172989811) has the molecular formula C13H6F3N and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-fluorobenzonitrile
PubChem CID172989811
Molecular FormulaC13H6F3N
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Name2-(2,4-difluorophenyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1ccc(F)cc1F
InChIInChI=1S/C13H6F3N/c14-9-2-1-8(7-17)12(5-9)11-4-3-10(15)6-13(11)16/h1-6H
InChIKeyXZVOJOVZBKTOIP-UHFFFAOYSA-N
XLogP3.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-fluorobenzonitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-4-fluorobenzonitrile (CID 172989811) is 2-(2,4-difluorophenyl)-4-fluorobenzonitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-fluorobenzonitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-fluorobenzonitrile is N#Cc1ccc(F)cc1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-fluorobenzonitrile?
The InChIKey is XZVOJOVZBKTOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N/c14-9-2-1-8(7-17)12(5-9)11-4-3-10(15)6-13(11)16/h1-6H.
What are the key properties of 2-(2,4-difluorophenyl)-4-fluorobenzonitrile?
2-(2,4-difluorophenyl)-4-fluorobenzonitrile has a molecular weight of 233.19 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-fluorobenzonitrile is sourced from PubChem (CID 172989811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).