[difluoromethyl(phenyl)phosphoryl]benzene

C13H11F2OP — CID 15635908

IUPAC[difluoromethyl(phenyl)phosphoryl]benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C(F)F
InChIInChI=1S/C13H11F2OP/c14-13(15)17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyBWWJPRJTQKEZQL-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.22
Rot. Bonds3

About [difluoromethyl(phenyl)phosphoryl]benzene

[difluoromethyl(phenyl)phosphoryl]benzene (PubChem CID 15635908) has the molecular formula C13H11F2OP and a molecular weight of 252.20 g/mol. Its IUPAC name is [difluoromethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[difluoromethyl(phenyl)phosphoryl]benzene
PubChem CID15635908
Molecular FormulaC13H11F2OP
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name[difluoromethyl(phenyl)phosphoryl]benzene
SMILESO=P(c1ccccc1)(c1ccccc1)C(F)F
InChIInChI=1S/C13H11F2OP/c14-13(15)17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyBWWJPRJTQKEZQL-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.22
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 [difluoromethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [difluoromethyl(phenyl)phosphoryl]benzene (CID 15635908) is [difluoromethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [difluoromethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [difluoromethyl(phenyl)phosphoryl]benzene is O=P(c1ccccc1)(c1ccccc1)C(F)F.
What is the InChIKey of [difluoromethyl(phenyl)phosphoryl]benzene?
The InChIKey is BWWJPRJTQKEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2OP/c14-13(15)17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of [difluoromethyl(phenyl)phosphoryl]benzene?
[difluoromethyl(phenyl)phosphoryl]benzene has a molecular weight of 252.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoromethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 15635908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).