[diethyl(propyl)silyl] trifluoromethanesulfonate

C8H17F3O3SSi — CID 57321093

IUPAC[diethyl(propyl)silyl] trifluoromethanesulfonate
SMILESCCC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3O3SSi/c1-4-7-16(5-2,6-3)14-15(12,13)8(9,10)11/h4-7H2,1-3H3
InChIKeyDBNRFRBSFAOVBK-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.25
Rot. Bonds6

About [diethyl(propyl)silyl] trifluoromethanesulfonate

[diethyl(propyl)silyl] trifluoromethanesulfonate (PubChem CID 57321093) has the molecular formula C8H17F3O3SSi and a molecular weight of 278.37 g/mol. Its IUPAC name is [diethyl(propyl)silyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[diethyl(propyl)silyl] trifluoromethanesulfonate
PubChem CID57321093
Molecular FormulaC8H17F3O3SSi
Molecular Weight278.37 g/mol
Exact Mass278.06
IUPAC Name[diethyl(propyl)silyl] trifluoromethanesulfonate
SMILESCCC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3O3SSi/c1-4-7-16(5-2,6-3)14-15(12,13)8(9,10)11/h4-7H2,1-3H3
InChIKeyDBNRFRBSFAOVBK-UHFFFAOYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethyl(propyl)silyl] trifluoromethanesulfonate?
The IUPAC name of [diethyl(propyl)silyl] trifluoromethanesulfonate (CID 57321093) is [diethyl(propyl)silyl] trifluoromethanesulfonate.
What is the SMILES notation for [diethyl(propyl)silyl] trifluoromethanesulfonate?
The canonical SMILES for [diethyl(propyl)silyl] trifluoromethanesulfonate is CCC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [diethyl(propyl)silyl] trifluoromethanesulfonate?
The InChIKey is DBNRFRBSFAOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3O3SSi/c1-4-7-16(5-2,6-3)14-15(12,13)8(9,10)11/h4-7H2,1-3H3.
What are the key properties of [diethyl(propyl)silyl] trifluoromethanesulfonate?
[diethyl(propyl)silyl] trifluoromethanesulfonate has a molecular weight of 278.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl(propyl)silyl] trifluoromethanesulfonate is sourced from PubChem (CID 57321093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).