triphenylsilyl trifluoromethanesulfonate

C19H15F3O3SSi — CID 5232842

IUPACtriphenylsilyl trifluoromethanesulfonate
SMILESO=S(=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H15F3O3SSi/c20-19(21,22)26(23,24)25-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyZQTHWOBTFAQXKR-UHFFFAOYSA-N
MW408.47 g/mol
LogP2.52
Rot. Bonds5

About triphenylsilyl trifluoromethanesulfonate

triphenylsilyl trifluoromethanesulfonate (PubChem CID 5232842) has the molecular formula C19H15F3O3SSi and a molecular weight of 408.47 g/mol. Its IUPAC name is triphenylsilyl trifluoromethanesulfonate.

Molecular Properties

Compound Nametriphenylsilyl trifluoromethanesulfonate
PubChem CID5232842
Molecular FormulaC19H15F3O3SSi
Molecular Weight408.47 g/mol
Exact Mass408.05
IUPAC Nametriphenylsilyl trifluoromethanesulfonate
SMILESO=S(=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H15F3O3SSi/c20-19(21,22)26(23,24)25-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyZQTHWOBTFAQXKR-UHFFFAOYSA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 52.52
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenylsilyl trifluoromethanesulfonate?
The IUPAC name of triphenylsilyl trifluoromethanesulfonate (CID 5232842) is triphenylsilyl trifluoromethanesulfonate.
What is the SMILES notation for triphenylsilyl trifluoromethanesulfonate?
The canonical SMILES for triphenylsilyl trifluoromethanesulfonate is O=S(=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of triphenylsilyl trifluoromethanesulfonate?
The InChIKey is ZQTHWOBTFAQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O3SSi/c20-19(21,22)26(23,24)25-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of triphenylsilyl trifluoromethanesulfonate?
triphenylsilyl trifluoromethanesulfonate has a molecular weight of 408.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 5232842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).