2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane

C8H20FO3PS — CID 170265363

IUPAC2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane
SMILESCCOP(=O)(CCS(C)(C)F)OCC
InChIInChI=1S/C8H20FO3PS/c1-5-11-13(10,12-6-2)7-8-14(3,4)9/h5-8H2,1-4H3
InChIKeyYMASLYLCAYOCSE-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.20
Rot. Bonds7

About 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane

2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane (PubChem CID 170265363) has the molecular formula C8H20FO3PS and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane
PubChem CID170265363
Molecular FormulaC8H20FO3PS
Molecular Weight246.28 g/mol
Exact Mass246.09
IUPAC Name2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane
SMILESCCOP(=O)(CCS(C)(C)F)OCC
InChIInChI=1S/C8H20FO3PS/c1-5-11-13(10,12-6-2)7-8-14(3,4)9/h5-8H2,1-4H3
InChIKeyYMASLYLCAYOCSE-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.20
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 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane?
The IUPAC name of 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane (CID 170265363) is 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane.
What is the SMILES notation for 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane?
The canonical SMILES for 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane is CCOP(=O)(CCS(C)(C)F)OCC.
What is the InChIKey of 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane?
The InChIKey is YMASLYLCAYOCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20FO3PS/c1-5-11-13(10,12-6-2)7-8-14(3,4)9/h5-8H2,1-4H3.
What are the key properties of 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane?
2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane has a molecular weight of 246.28 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylethyl-fluoro-dimethyl-λ4-sulfane is sourced from PubChem (CID 170265363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).