[dimethyl(phenyl)silyl] trifluoromethanesulfonate

C9H11F3O3SSi — CID 13495210

IUPAC[dimethyl(phenyl)silyl] trifluoromethanesulfonate
SMILESC[Si](C)(OS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H11F3O3SSi/c1-17(2,8-6-4-3-5-7-8)15-16(13,14)9(10,11)12/h3-7H,1-2H3
InChIKeyJQLMBSVQSNYJKF-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.96
Rot. Bonds3

About [dimethyl(phenyl)silyl] trifluoromethanesulfonate

[dimethyl(phenyl)silyl] trifluoromethanesulfonate (PubChem CID 13495210) has the molecular formula C9H11F3O3SSi and a molecular weight of 284.33 g/mol. Its IUPAC name is [dimethyl(phenyl)silyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[dimethyl(phenyl)silyl] trifluoromethanesulfonate
PubChem CID13495210
Molecular FormulaC9H11F3O3SSi
Molecular Weight284.33 g/mol
Exact Mass284.02
IUPAC Name[dimethyl(phenyl)silyl] trifluoromethanesulfonate
SMILESC[Si](C)(OS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H11F3O3SSi/c1-17(2,8-6-4-3-5-7-8)15-16(13,14)9(10,11)12/h3-7H,1-2H3
InChIKeyJQLMBSVQSNYJKF-UHFFFAOYSA-N
XLogP1.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.96
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 [dimethyl(phenyl)silyl] trifluoromethanesulfonate?
The IUPAC name of [dimethyl(phenyl)silyl] trifluoromethanesulfonate (CID 13495210) is [dimethyl(phenyl)silyl] trifluoromethanesulfonate.
What is the SMILES notation for [dimethyl(phenyl)silyl] trifluoromethanesulfonate?
The canonical SMILES for [dimethyl(phenyl)silyl] trifluoromethanesulfonate is C[Si](C)(OS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of [dimethyl(phenyl)silyl] trifluoromethanesulfonate?
The InChIKey is JQLMBSVQSNYJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3SSi/c1-17(2,8-6-4-3-5-7-8)15-16(13,14)9(10,11)12/h3-7H,1-2H3.
What are the key properties of [dimethyl(phenyl)silyl] trifluoromethanesulfonate?
[dimethyl(phenyl)silyl] trifluoromethanesulfonate has a molecular weight of 284.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(phenyl)silyl] trifluoromethanesulfonate is sourced from PubChem (CID 13495210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).