2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile

C20H15FNP — CID 15446199

IUPAC2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile
SMILESN#CC(F)(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15FNP/c21-20(16-22,17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKeyFNBZDNWIFPGVJY-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.47
Rot. Bonds4

About 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile

2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile (PubChem CID 15446199) has the molecular formula C20H15FNP and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile.

Molecular Properties

Compound Name2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile
PubChem CID15446199
Molecular FormulaC20H15FNP
Molecular Weight319.32 g/mol
Exact Mass319.09
IUPAC Name2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile
SMILESN#CC(F)(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15FNP/c21-20(16-22,17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKeyFNBZDNWIFPGVJY-UHFFFAOYSA-N
XLogP4.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile?
The IUPAC name of 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile (CID 15446199) is 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile.
What is the SMILES notation for 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile?
The canonical SMILES for 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile is N#CC(F)(c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile?
The InChIKey is FNBZDNWIFPGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FNP/c21-20(16-22,17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H.
What are the key properties of 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile?
2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile has a molecular weight of 319.32 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile is sourced from PubChem (CID 15446199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).