[diethoxyphosphoryl(difluoro)methyl]benzene

C11H15F2O3P — CID 10879945

IUPAC[diethoxyphosphoryl(difluoro)methyl]benzene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccccc1
InChIInChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)11(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyQUBGHLWVGKRUCV-UHFFFAOYSA-N
MW264.21 g/mol
LogP4.00
Rot. Bonds6

About [diethoxyphosphoryl(difluoro)methyl]benzene

[diethoxyphosphoryl(difluoro)methyl]benzene (PubChem CID 10879945) has the molecular formula C11H15F2O3P and a molecular weight of 264.21 g/mol. Its IUPAC name is [diethoxyphosphoryl(difluoro)methyl]benzene.

Molecular Properties

Compound Name[diethoxyphosphoryl(difluoro)methyl]benzene
PubChem CID10879945
Molecular FormulaC11H15F2O3P
Molecular Weight264.21 g/mol
Exact Mass264.07
IUPAC Name[diethoxyphosphoryl(difluoro)methyl]benzene
SMILESCCOP(=O)(OCC)C(F)(F)c1ccccc1
InChIInChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)11(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyQUBGHLWVGKRUCV-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl benzylphosphonate
CID 14122
Diethyl P-((4-methylphenyl)methyl)phosphonate
CID 3050
Kitazin
CID 25834
Dibutyl P-(phenylmethyl)phosphonate
CID 123200
Phosphonic acid, P,P'-(1,4-phenylenebis(methylene))bis-, P,P,P',P'-tetraethyl ester
CID 78303
Diethyl P-(1-phenylethyl)phosphonate
CID 99789
Phosphonic acid, tolyl-, diethyl ester
CID 206739
Dimethyl P-(phenylmethyl)phosphonate
CID 305789
Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester
CID 99790
Phosphonic acid, benzyl-, diallyl ester
CID 3057415
[4-(Trifluoromethyl)phenyl]phosphonic acid
CID 12670619
Phosphonic acid, benzyl-, monoethyl ester
CID 177024

Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl(difluoro)methyl]benzene?
The IUPAC name of [diethoxyphosphoryl(difluoro)methyl]benzene (CID 10879945) is [diethoxyphosphoryl(difluoro)methyl]benzene.
What is the SMILES notation for [diethoxyphosphoryl(difluoro)methyl]benzene?
The canonical SMILES for [diethoxyphosphoryl(difluoro)methyl]benzene is CCOP(=O)(OCC)C(F)(F)c1ccccc1.
What is the InChIKey of [diethoxyphosphoryl(difluoro)methyl]benzene?
The InChIKey is QUBGHLWVGKRUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)11(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of [diethoxyphosphoryl(difluoro)methyl]benzene?
[diethoxyphosphoryl(difluoro)methyl]benzene has a molecular weight of 264.21 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl(difluoro)methyl]benzene is sourced from PubChem (CID 10879945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).