tributylsilyl trifluoromethanesulfonate

C13H27F3O3SSi — CID 22935915

IUPACtributylsilyl trifluoromethanesulfonate
SMILESCCCC[Si](CCCC)(CCCC)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H27F3O3SSi/c1-4-7-10-21(11-8-5-2,12-9-6-3)19-20(17,18)13(14,15)16/h4-12H2,1-3H3
InChIKeyWDOQFJKHSFNXJB-UHFFFAOYSA-N
MW348.50 g/mol
LogP5.20
Rot. Bonds11

About tributylsilyl trifluoromethanesulfonate

tributylsilyl trifluoromethanesulfonate (PubChem CID 22935915) has the molecular formula C13H27F3O3SSi and a molecular weight of 348.50 g/mol. Its IUPAC name is tributylsilyl trifluoromethanesulfonate.

Molecular Properties

Compound Nametributylsilyl trifluoromethanesulfonate
PubChem CID22935915
Molecular FormulaC13H27F3O3SSi
Molecular Weight348.50 g/mol
Exact Mass348.14
IUPAC Nametributylsilyl trifluoromethanesulfonate
SMILESCCCC[Si](CCCC)(CCCC)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H27F3O3SSi/c1-4-7-10-21(11-8-5-2,12-9-6-3)19-20(17,18)13(14,15)16/h4-12H2,1-3H3
InChIKeyWDOQFJKHSFNXJB-UHFFFAOYSA-N
XLogP5.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 55.20
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 tributylsilyl trifluoromethanesulfonate?
The IUPAC name of tributylsilyl trifluoromethanesulfonate (CID 22935915) is tributylsilyl trifluoromethanesulfonate.
What is the SMILES notation for tributylsilyl trifluoromethanesulfonate?
The canonical SMILES for tributylsilyl trifluoromethanesulfonate is CCCC[Si](CCCC)(CCCC)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of tributylsilyl trifluoromethanesulfonate?
The InChIKey is WDOQFJKHSFNXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3O3SSi/c1-4-7-10-21(11-8-5-2,12-9-6-3)19-20(17,18)13(14,15)16/h4-12H2,1-3H3.
What are the key properties of tributylsilyl trifluoromethanesulfonate?
tributylsilyl trifluoromethanesulfonate has a molecular weight of 348.50 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 22935915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).