4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile

C14H6F5NO — CID 11673811

IUPAC4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C14H6F5NO/c15-9-2-4-13(12(16)5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H
InChIKeyDZTBXKURUYOIDD-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.65
Rot. Bonds2

About 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile

4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 11673811) has the molecular formula C14H6F5NO and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID11673811
Molecular FormulaC14H6F5NO
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C14H6F5NO/c15-9-2-4-13(12(16)5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H
InChIKeyDZTBXKURUYOIDD-UHFFFAOYSA-N
XLogP4.65
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)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-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile (CID 11673811) is 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Oc2ccc(F)cc2F)cc1C(F)(F)F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is DZTBXKURUYOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F5NO/c15-9-2-4-13(12(16)5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H.
What are the key properties of 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile?
4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 299.20 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11673811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).