4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile

C15H9F4NO2 — CID 11594758

IUPAC4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCOc1cccc(F)c1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C15H9F4NO2/c1-21-13-4-2-3-12(16)14(13)22-10-6-5-9(8-20)11(7-10)15(17,18)19/h2-7H,1H3
InChIKeyQCNNYHRGOJVTJG-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.52
Rot. Bonds3

About 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile

4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 11594758) has the molecular formula C15H9F4NO2 and a molecular weight of 311.23 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID11594758
Molecular FormulaC15H9F4NO2
Molecular Weight311.23 g/mol
Exact Mass311.06
IUPAC Name4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCOc1cccc(F)c1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C15H9F4NO2/c1-21-13-4-2-3-12(16)14(13)22-10-6-5-9(8-20)11(7-10)15(17,18)19/h2-7H,1H3
InChIKeyQCNNYHRGOJVTJG-UHFFFAOYSA-N
XLogP4.52
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoro-6-methoxyphenoxy)-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-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile (CID 11594758) is 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile is COc1cccc(F)c1Oc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is QCNNYHRGOJVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO2/c1-21-13-4-2-3-12(16)14(13)22-10-6-5-9(8-20)11(7-10)15(17,18)19/h2-7H,1H3.
What are the key properties of 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile?
4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 311.23 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11594758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).