[diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene

C11H16FO5PS — CID 11833843

IUPAC[diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene
SMILESCCOP(=O)(OCC)C(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16FO5PS/c1-3-16-18(13,17-4-2)11(12)19(14,15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyHUOWVYVTKZRXGM-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.98
Rot. Bonds7

About [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene

[diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene (PubChem CID 11833843) has the molecular formula C11H16FO5PS and a molecular weight of 310.28 g/mol. Its IUPAC name is [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene.

Molecular Properties

Compound Name[diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene
PubChem CID11833843
Molecular FormulaC11H16FO5PS
Molecular Weight310.28 g/mol
Exact Mass310.04
IUPAC Name[diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene
SMILESCCOP(=O)(OCC)C(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16FO5PS/c1-3-16-18(13,17-4-2)11(12)19(14,15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyHUOWVYVTKZRXGM-UHFFFAOYSA-N
XLogP2.98
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene?
The IUPAC name of [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene (CID 11833843) is [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene.
What is the SMILES notation for [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene?
The canonical SMILES for [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene is CCOP(=O)(OCC)C(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene?
The InChIKey is HUOWVYVTKZRXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FO5PS/c1-3-16-18(13,17-4-2)11(12)19(14,15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene?
[diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene has a molecular weight of 310.28 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene is sourced from PubChem (CID 11833843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).