bis(trimethylsilyl)methyl trifluoromethanesulfonate

C8H19F3O3SSi2 — CID 87370249

IUPACbis(trimethylsilyl)methyl trifluoromethanesulfonate
SMILESC[Si](C)(C)C(OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C8H19F3O3SSi2/c1-16(2,3)7(17(4,5)6)14-15(12,13)8(9,10)11/h7H,1-6H3
InChIKeyDQYFYGILFQYNOE-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.98
Rot. Bonds4

About bis(trimethylsilyl)methyl trifluoromethanesulfonate

bis(trimethylsilyl)methyl trifluoromethanesulfonate (PubChem CID 87370249) has the molecular formula C8H19F3O3SSi2 and a molecular weight of 308.47 g/mol. Its IUPAC name is bis(trimethylsilyl)methyl trifluoromethanesulfonate.

Molecular Properties

Compound Namebis(trimethylsilyl)methyl trifluoromethanesulfonate
PubChem CID87370249
Molecular FormulaC8H19F3O3SSi2
Molecular Weight308.47 g/mol
Exact Mass308.05
IUPAC Namebis(trimethylsilyl)methyl trifluoromethanesulfonate
SMILESC[Si](C)(C)C(OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C8H19F3O3SSi2/c1-16(2,3)7(17(4,5)6)14-15(12,13)8(9,10)11/h7H,1-6H3
InChIKeyDQYFYGILFQYNOE-UHFFFAOYSA-N
XLogP2.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl)methyl trifluoromethanesulfonate?
The IUPAC name of bis(trimethylsilyl)methyl trifluoromethanesulfonate (CID 87370249) is bis(trimethylsilyl)methyl trifluoromethanesulfonate.
What is the SMILES notation for bis(trimethylsilyl)methyl trifluoromethanesulfonate?
The canonical SMILES for bis(trimethylsilyl)methyl trifluoromethanesulfonate is C[Si](C)(C)C(OS(=O)(=O)C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl)methyl trifluoromethanesulfonate?
The InChIKey is DQYFYGILFQYNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19F3O3SSi2/c1-16(2,3)7(17(4,5)6)14-15(12,13)8(9,10)11/h7H,1-6H3.
What are the key properties of bis(trimethylsilyl)methyl trifluoromethanesulfonate?
bis(trimethylsilyl)methyl trifluoromethanesulfonate has a molecular weight of 308.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl)methyl trifluoromethanesulfonate is sourced from PubChem (CID 87370249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).