[dimethoxyphosphoryl(difluoro)methyl]benzene

C9H11F2O3P — CID 10609826

IUPAC[dimethoxyphosphoryl(difluoro)methyl]benzene
SMILESCOP(=O)(OC)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2O3P/c1-13-15(12,14-2)9(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyYALKPQUHSGUCIE-UHFFFAOYSA-N
MW236.15 g/mol
LogP3.22
Rot. Bonds4

About [dimethoxyphosphoryl(difluoro)methyl]benzene

[dimethoxyphosphoryl(difluoro)methyl]benzene (PubChem CID 10609826) has the molecular formula C9H11F2O3P and a molecular weight of 236.15 g/mol. Its IUPAC name is [dimethoxyphosphoryl(difluoro)methyl]benzene.

Molecular Properties

Compound Name[dimethoxyphosphoryl(difluoro)methyl]benzene
PubChem CID10609826
Molecular FormulaC9H11F2O3P
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name[dimethoxyphosphoryl(difluoro)methyl]benzene
SMILESCOP(=O)(OC)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2O3P/c1-13-15(12,14-2)9(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyYALKPQUHSGUCIE-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl(difluoro)methyl]benzene?
The IUPAC name of [dimethoxyphosphoryl(difluoro)methyl]benzene (CID 10609826) is [dimethoxyphosphoryl(difluoro)methyl]benzene.
What is the SMILES notation for [dimethoxyphosphoryl(difluoro)methyl]benzene?
The canonical SMILES for [dimethoxyphosphoryl(difluoro)methyl]benzene is COP(=O)(OC)C(F)(F)c1ccccc1.
What is the InChIKey of [dimethoxyphosphoryl(difluoro)methyl]benzene?
The InChIKey is YALKPQUHSGUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2O3P/c1-13-15(12,14-2)9(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of [dimethoxyphosphoryl(difluoro)methyl]benzene?
[dimethoxyphosphoryl(difluoro)methyl]benzene has a molecular weight of 236.15 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl(difluoro)methyl]benzene is sourced from PubChem (CID 10609826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).