4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile

C20H12F3NO — CID 11602515

IUPAC4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C20H12F3NO/c21-20(22,23)18-12-16(11-10-15(18)13-24)25-19-9-5-4-8-17(19)14-6-2-1-3-7-14/h1-12H
InChIKeyFYQBBZXBJDEXKR-UHFFFAOYSA-N
MW339.32 g/mol
LogP6.04
Rot. Bonds3

About 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile

4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 11602515) has the molecular formula C20H12F3NO and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID11602515
Molecular FormulaC20H12F3NO
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C20H12F3NO/c21-20(22,23)18-12-16(11-10-15(18)13-24)25-19-9-5-4-8-17(19)14-6-2-1-3-7-14/h1-12H
InChIKeyFYQBBZXBJDEXKR-UHFFFAOYSA-N
XLogP6.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-phenylphenoxy)-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-phenylphenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile (CID 11602515) is 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is FYQBBZXBJDEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO/c21-20(22,23)18-12-16(11-10-15(18)13-24)25-19-9-5-4-8-17(19)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile?
4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 339.32 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11602515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).