(Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile

C15H7Cl2F2N — CID 59249629

IUPAC(Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc(Cl)c1F)c1ccc(Cl)cc1F
InChIInChI=1S/C15H7Cl2F2N/c16-11-4-5-12(14(18)7-11)10(8-20)6-9-2-1-3-13(17)15(9)19/h1-7H/b10-6+
InChIKeyDISXSBPTEJLPGY-UXBLZVDNSA-N
MW310.13 g/mol
LogP5.34
Rot. Bonds2

About (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile

(Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile (PubChem CID 59249629) has the molecular formula C15H7Cl2F2N and a molecular weight of 310.13 g/mol. Its IUPAC name is (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile
PubChem CID59249629
Molecular FormulaC15H7Cl2F2N
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name(Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc(Cl)c1F)c1ccc(Cl)cc1F
InChIInChI=1S/C15H7Cl2F2N/c16-11-4-5-12(14(18)7-11)10(8-20)6-9-2-1-3-13(17)15(9)19/h1-7H/b10-6+
InChIKeyDISXSBPTEJLPGY-UXBLZVDNSA-N
XLogP5.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.13
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)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-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile (CID 59249629) is (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile is N#C/C(=C\c1cccc(Cl)c1F)c1ccc(Cl)cc1F.
What is the InChIKey of (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile?
The InChIKey is DISXSBPTEJLPGY-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H7Cl2F2N/c16-11-4-5-12(14(18)7-11)10(8-20)6-9-2-1-3-13(17)15(9)19/h1-7H/b10-6+.
What are the key properties of (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile?
(Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile has a molecular weight of 310.13 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 59249629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).