4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile

C15H7F3N2O — CID 115467720

IUPAC4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C#N)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H7F3N2O/c16-15(17,18)13-7-11(9-20)3-6-14(13)21-12-4-1-10(8-19)2-5-12/h1-7H
InChIKeyJLQXKKIQYINHNT-UHFFFAOYSA-N
MW288.23 g/mol
LogP4.24
Rot. Bonds2

About 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile

4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile (PubChem CID 115467720) has the molecular formula C15H7F3N2O and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
PubChem CID115467720
Molecular FormulaC15H7F3N2O
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Name4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(C#N)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H7F3N2O/c16-15(17,18)13-7-11(9-20)3-6-14(13)21-12-4-1-10(8-19)2-5-12/h1-7H
InChIKeyJLQXKKIQYINHNT-UHFFFAOYSA-N
XLogP4.24
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-cyanophenoxy)-3-(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

Related Compounds

4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
CID 66790483
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467623
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817
4-[4-[4,6-bis(2-hydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile
CID 123599881
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524
4-[4-[4-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile
CID 141325300
4-(3-bromopropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467663
2-[4-cyano-2-(trifluoromethyl)phenoxy]-2,2-difluoroacetic acid
CID 115467547
4-(4-sulfanylbutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468395

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile (CID 115467720) is 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(Oc2ccc(C#N)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile?
The InChIKey is JLQXKKIQYINHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N2O/c16-15(17,18)13-7-11(9-20)3-6-14(13)21-12-4-1-10(8-19)2-5-12/h1-7H.
What are the key properties of 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile?
4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile has a molecular weight of 288.23 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 115467720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).