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

C15H8Cl2FN — CID 167188628

IUPAC(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H8Cl2FN/c16-12-3-1-10(2-4-12)7-11(9-19)14-6-5-13(17)8-15(14)18/h1-8H/b11-7+
InChIKeyUIBBBXRZIWAGRR-YRNVUSSQSA-N
MW292.14 g/mol
LogP5.20
Rot. Bonds2

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

(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile (PubChem CID 167188628) has the molecular formula C15H8Cl2FN and a molecular weight of 292.14 g/mol. Its IUPAC name is (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
PubChem CID167188628
Molecular FormulaC15H8Cl2FN
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H8Cl2FN/c16-12-3-1-10(2-4-12)7-11(9-19)14-6-5-13(17)8-15(14)18/h1-8H/b11-7+
InChIKeyUIBBBXRZIWAGRR-YRNVUSSQSA-N
XLogP5.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.14
LogP ≤ 55.20
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'}

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Related Compounds

2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826
(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile
CID 6073171
2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 5234959
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
(E)-2-(4-chlorophenyl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile
CID 126249436
3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
CID 66746876
3-(3-chloro-2-fluorophenyl)-2-(2,4-dichlorophenyl)prop-2-enenitrile
CID 67296942
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 3979739
3-[2-(4-chlorophenyl)-1-cyanoethenyl]benzonitrile
CID 3913504
(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 853953

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile (CID 167188628) is (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The InChIKey is UIBBBXRZIWAGRR-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H8Cl2FN/c16-12-3-1-10(2-4-12)7-11(9-19)14-6-5-13(17)8-15(14)18/h1-8H/b11-7+.
What are the key properties of (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile?
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile has a molecular weight of 292.14 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 167188628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).