3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane

C7H16F3O3PS — CID 170264289

IUPAC3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane
SMILESCCOP(=O)(CCCS(F)(F)F)OCC
InChIInChI=1S/C7H16F3O3PS/c1-3-12-14(11,13-4-2)6-5-7-15(8,9)10/h3-7H2,1-2H3
InChIKeyIMJPGBDYAASCSU-UHFFFAOYSA-N
MW268.24 g/mol
LogP4.10
Rot. Bonds8

About 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane

3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane (PubChem CID 170264289) has the molecular formula C7H16F3O3PS and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane.

Molecular Properties

Compound Name3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane
PubChem CID170264289
Molecular FormulaC7H16F3O3PS
Molecular Weight268.24 g/mol
Exact Mass268.05
IUPAC Name3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane
SMILESCCOP(=O)(CCCS(F)(F)F)OCC
InChIInChI=1S/C7H16F3O3PS/c1-3-12-14(11,13-4-2)6-5-7-15(8,9)10/h3-7H2,1-2H3
InChIKeyIMJPGBDYAASCSU-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 54.10
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 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane?
The IUPAC name of 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane (CID 170264289) is 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane.
What is the SMILES notation for 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane?
The canonical SMILES for 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane is CCOP(=O)(CCCS(F)(F)F)OCC.
What is the InChIKey of 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane?
The InChIKey is IMJPGBDYAASCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3O3PS/c1-3-12-14(11,13-4-2)6-5-7-15(8,9)10/h3-7H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane?
3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane has a molecular weight of 268.24 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylpropyl(trifluoro)-λ4-sulfane is sourced from PubChem (CID 170264289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).