3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane

C8H19F2O3PS — CID 170264287

IUPAC3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
SMILESCCOP(=O)(CCCS(C)(F)F)OCC
InChIInChI=1S/C8H19F2O3PS/c1-4-12-14(11,13-5-2)7-6-8-15(3,9)10/h4-8H2,1-3H3
InChIKeyGHGSWSBWGYMXIG-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.85
Rot. Bonds8

About 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane

3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane (PubChem CID 170264287) has the molecular formula C8H19F2O3PS and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane.

Molecular Properties

Compound Name3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
PubChem CID170264287
Molecular FormulaC8H19F2O3PS
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
SMILESCCOP(=O)(CCCS(C)(F)F)OCC
InChIInChI=1S/C8H19F2O3PS/c1-4-12-14(11,13-5-2)7-6-8-15(3,9)10/h4-8H2,1-3H3
InChIKeyGHGSWSBWGYMXIG-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.85
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 (3-(methylthio)propyl)phosphonate
CID 54328603
3-Diethoxyphosphorylpropyl(trifluoro)-lambda4-sulfane
CID 170264289
Difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-lambda4-sulfane
CID 170264519
3-[Difluoro(methyl)-lambda4-sulfanyl]propyl diethyl phosphate
CID 170264543
Difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-lambda4-sulfane
CID 170264550
3-[Difluoro(methyl)-lambda4-sulfanyl]propyl dimethyl phosphate
CID 170264553
3-Dimethoxyphosphorylpropyl-difluoro-methyl-lambda4-sulfane
CID 170264565
3-[Tert-butyl(difluoro)-lambda4-sulfanyl]propyl diethyl phosphate
CID 170264795
Diethyl 3-[fluoro(dimethyl)-lambda4-sulfanyl]propyl phosphate
CID 170265358
2-Diethoxyphosphorylethyl-fluoro-dimethyl-lambda4-sulfane
CID 170265363
1-(2-Diethoxyphosphorylethynylsulfanyl)propane
CID 12534412
1-(2-Diethoxyphosphorylethynylsulfanyl)butane
CID 12534413

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
The IUPAC name of 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane (CID 170264287) is 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane.
What is the SMILES notation for 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
The canonical SMILES for 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane is CCOP(=O)(CCCS(C)(F)F)OCC.
What is the InChIKey of 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
The InChIKey is GHGSWSBWGYMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19F2O3PS/c1-4-12-14(11,13-5-2)7-6-8-15(3,9)10/h4-8H2,1-3H3.
What are the key properties of 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane has a molecular weight of 264.27 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane is sourced from PubChem (CID 170264287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).