(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

C17H12F3N — CID 67745537

IUPAC(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESCc1ccc(/C(=C/C#N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H12F3N/c1-12-2-4-13(5-3-12)16(10-11-21)14-6-8-15(9-7-14)17(18,19)20/h2-10H,1H3/b16-10-
InChIKeyUQFLSOVEJVITNK-YBEGLDIGSA-N
MW287.28 g/mol
LogP4.97
Rot. Bonds2

About (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 67745537) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID67745537
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESCc1ccc(/C(=C/C#N)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H12F3N/c1-12-2-4-13(5-3-12)16(10-11-21)14-6-8-15(9-7-14)17(18,19)20/h2-10H,1H3/b16-10-
InChIKeyUQFLSOVEJVITNK-YBEGLDIGSA-N
XLogP4.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-methylphenyl)-3-[4-(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)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 67745537) is (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is Cc1ccc(/C(=C/C#N)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is UQFLSOVEJVITNK-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H12F3N/c1-12-2-4-13(5-3-12)16(10-11-21)14-6-8-15(9-7-14)17(18,19)20/h2-10H,1H3/b16-10-.
What are the key properties of (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 287.28 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 67745537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).