Trimethylsilyl trifluoromethanesufonate

C₄H₉F₃O₃SSi — CID 15145415

About Trimethylsilyl trifluoromethanesufonate

Trimethylsilyl trifluoromethanesufonate (PubChem CID 15145415) has the molecular formula C₄H₉F₃O₃SSi and a molecular weight of 222.26 g/mol. Its IUPAC name is trifluoro(trimethylsilylsulfonyloxy)methane.

Molecular Properties

• Compound Name: Trimethylsilyl trifluoromethanesufonate
• PubChem CID: 15145415
• Molecular Formula: C₄H₉F₃O₃SSi
• Molecular Weight: 222.26 g/mol
• Exact Mass: 222.00
• IUPAC Name: trifluoro(trimethylsilylsulfonyloxy)methane
• SMILES: C[Si](C)(C)S(=O)(=O)OC(F)(F)F
• InChI: InChI=1S/C4H9F3O3SSi/c1-12(2,3)11(8,9)10-4(5,6)7/h1-3H3
• InChIKey: PAGFHWOAZNYBLV-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.26
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trimethylsilyl trifluoromethanesufonate?

The IUPAC name of Trimethylsilyl trifluoromethanesufonate (CID 15145415) is trifluoro(trimethylsilylsulfonyloxy)methane.

What is the SMILES notation for Trimethylsilyl trifluoromethanesufonate?

The canonical SMILES for Trimethylsilyl trifluoromethanesufonate is C[Si](C)(C)S(=O)(=O)OC(F)(F)F.

What is the InChIKey of Trimethylsilyl trifluoromethanesufonate?

The InChIKey is PAGFHWOAZNYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3O3SSi/c1-12(2,3)11(8,9)10-4(5,6)7/h1-3H3.

What are the key properties of Trimethylsilyl trifluoromethanesufonate?

Trimethylsilyl trifluoromethanesufonate has a molecular weight of 222.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethylsilyl trifluoromethanesufonate is sourced from PubChem (CID 15145415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15145415 — identifiers, structure, computed properties (public domain)

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