4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile

C15H10FN — CID 141385904

IUPAC4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\F)c2ccccc2)cc1
InChIInChI=1S/C15H10FN/c16-15(14-4-2-1-3-5-14)10-12-6-8-13(11-17)9-7-12/h1-10H/b15-10-
InChIKeyLQEXJCKJLFNELJ-GDNBJRDFSA-N
MW223.25 g/mol
LogP4.03
Rot. Bonds2

About 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile

4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile (PubChem CID 141385904) has the molecular formula C15H10FN and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile
PubChem CID141385904
Molecular FormulaC15H10FN
Molecular Weight223.25 g/mol
Exact Mass223.08
IUPAC Name4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\F)c2ccccc2)cc1
InChIInChI=1S/C15H10FN/c16-15(14-4-2-1-3-5-14)10-12-6-8-13(11-17)9-7-12/h1-10H/b15-10-
InChIKeyLQEXJCKJLFNELJ-GDNBJRDFSA-N
XLogP4.03
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 54.03
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

4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile
CID 132574131
CID 10548364
CID 10548364
4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 5388647
4-[(E)-2-bromo-2-fluoroethenyl]benzonitrile
CID 11790880
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
4-[(E)-1,2-diphenylethenoxy]benzonitrile
CID 102486834
4-[(E)-2-dimethoxyphosphoryl-2-phenylethenyl]benzonitrile
CID 122394359
1-bromo-4-(1-fluoro-2-phenylethenyl)benzene
CID 154707764
4-(1-phenylethenyl)benzonitrile
CID 11977035
(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
CID 55255959
N-[(E)-1-(4-cyanophenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5369515
(14N)benzonitrile
CID 102268532

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile (CID 141385904) is 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile is N#Cc1ccc(/C=C(\F)c2ccccc2)cc1.
What is the InChIKey of 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile?
The InChIKey is LQEXJCKJLFNELJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H10FN/c16-15(14-4-2-1-3-5-14)10-12-6-8-13(11-17)9-7-12/h1-10H/b15-10-.
What are the key properties of 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile?
4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile has a molecular weight of 223.25 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile is sourced from PubChem (CID 141385904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).