(Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

C18H14F3NO2 — CID 134153808

IUPAC(Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESCOc1cc(OC)cc(/C(C#N)=C/c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO2/c1-23-15-8-13(9-16(10-15)24-2)14(11-22)7-12-5-3-4-6-17(12)18(19,20)21/h3-10H,1-2H3/b14-7+
InChIKeyAPDSAKMXQQMLQS-VGOFMYFVSA-N
MW333.31 g/mol
LogP4.79
Rot. Bonds4

About (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

(Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 134153808) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID134153808
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name(Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESCOc1cc(OC)cc(/C(C#N)=C/c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO2/c1-23-15-8-13(9-16(10-15)24-2)14(11-22)7-12-5-3-4-6-17(12)18(19,20)21/h3-10H,1-2H3/b14-7+
InChIKeyAPDSAKMXQQMLQS-VGOFMYFVSA-N
XLogP4.79
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile 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 (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 134153808) is (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is COc1cc(OC)cc(/C(C#N)=C/c2ccccc2C(F)(F)F)c1.
What is the InChIKey of (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is APDSAKMXQQMLQS-VGOFMYFVSA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-23-15-8-13(9-16(10-15)24-2)14(11-22)7-12-5-3-4-6-17(12)18(19,20)21/h3-10H,1-2H3/b14-7+.
What are the key properties of (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
(Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 333.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 134153808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).