4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile

C21H15FNP — CID 132574131

IUPAC4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\F)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15FNP/c22-21(15-17-11-13-18(16-23)14-12-17)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H/b21-15+
InChIKeyXGZIYSGUIIIJCD-RCCKNPSSSA-N
MW331.33 g/mol
LogP4.96
Rot. Bonds4

About 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile

4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile (PubChem CID 132574131) has the molecular formula C21H15FNP and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile
PubChem CID132574131
Molecular FormulaC21H15FNP
Molecular Weight331.33 g/mol
Exact Mass331.09
IUPAC Name4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\F)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15FNP/c22-21(15-17-11-13-18(16-23)14-12-17)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H/b21-15+
InChIKeyXGZIYSGUIIIJCD-RCCKNPSSSA-N
XLogP4.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile
CID 141385904
4-[(E)-2-bromo-2-fluoroethenyl]benzonitrile
CID 11790880
CID 10548364
CID 10548364
4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 5388647
(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
CID 55255959
4-[(E)-2-dimethoxyphosphoryl-2-phenylethenyl]benzonitrile
CID 122394359
(14N)benzonitrile
CID 102268532
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
benzonitrile;hypoiodous acid
CID 174504508
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-1,2-diphenylethenoxy]benzonitrile
CID 102486834
azane;benzene-1,4-dicarbonitrile
CID 174336566

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile (CID 132574131) is 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile is N#Cc1ccc(/C=C(\F)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile?
The InChIKey is XGZIYSGUIIIJCD-RCCKNPSSSA-N. The full InChI is InChI=1S/C21H15FNP/c22-21(15-17-11-13-18(16-23)14-12-17)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H/b21-15+.
What are the key properties of 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile?
4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile has a molecular weight of 331.33 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-diphenylphosphanyl-2-fluoroethenyl]benzonitrile is sourced from PubChem (CID 132574131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).