5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile

C15H8Cl2FN — CID 89437028

IUPAC5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1/C=C/c1ccc(Cl)cc1F
InChIInChI=1S/C15H8Cl2FN/c16-13-5-3-10(12(7-13)9-19)1-2-11-4-6-14(17)8-15(11)18/h1-8H/b2-1+
InChIKeyUMECVHRYCXESSA-OWOJBTEDSA-N
MW292.14 g/mol
LogP5.17
Rot. Bonds2

About 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile

5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile (PubChem CID 89437028) has the molecular formula C15H8Cl2FN and a molecular weight of 292.14 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile
PubChem CID89437028
Molecular FormulaC15H8Cl2FN
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1/C=C/c1ccc(Cl)cc1F
InChIInChI=1S/C15H8Cl2FN/c16-13-5-3-10(12(7-13)9-19)1-2-11-4-6-14(17)8-15(11)18/h1-8H/b2-1+
InChIKeyUMECVHRYCXESSA-OWOJBTEDSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(2-cyanoethenyl)-5-fluorobenzonitrile
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4-chloro-2-cyanobenzenesulfonyl fluoride
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile?
The IUPAC name of 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile (CID 89437028) is 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile?
The canonical SMILES for 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile is N#Cc1cc(Cl)ccc1/C=C/c1ccc(Cl)cc1F.
What is the InChIKey of 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile?
The InChIKey is UMECVHRYCXESSA-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H8Cl2FN/c16-13-5-3-10(12(7-13)9-19)1-2-11-4-6-14(17)8-15(11)18/h1-8H/b2-1+.
What are the key properties of 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile?
5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile has a molecular weight of 292.14 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 89437028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).