[methyl(diphenyl)silyl] trifluoromethanesulfonate

C14H13F3O3SSi — CID 15734356

IUPAC[methyl(diphenyl)silyl] trifluoromethanesulfonate
SMILESC[Si](OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13F3O3SSi/c1-22(12-8-4-2-5-9-12,13-10-6-3-7-11-13)20-21(18,19)14(15,16)17/h2-11H,1H3
InChIKeyRMMZVIVQUFAVLE-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.24
Rot. Bonds4

About [methyl(diphenyl)silyl] trifluoromethanesulfonate

[methyl(diphenyl)silyl] trifluoromethanesulfonate (PubChem CID 15734356) has the molecular formula C14H13F3O3SSi and a molecular weight of 346.40 g/mol. Its IUPAC name is [methyl(diphenyl)silyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[methyl(diphenyl)silyl] trifluoromethanesulfonate
PubChem CID15734356
Molecular FormulaC14H13F3O3SSi
Molecular Weight346.40 g/mol
Exact Mass346.03
IUPAC Name[methyl(diphenyl)silyl] trifluoromethanesulfonate
SMILESC[Si](OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13F3O3SSi/c1-22(12-8-4-2-5-9-12,13-10-6-3-7-11-13)20-21(18,19)14(15,16)17/h2-11H,1H3
InChIKeyRMMZVIVQUFAVLE-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.24
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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Related Compounds

[dimethyl(phenyl)silyl] trifluoromethanesulfonate
CID 13495210
[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 15666297
[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135020579
[diphenyl(trimethylsilylmethyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 14943478
(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
[dimethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 12977680
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
[di(butan-2-yl)-(2-phenylpropan-2-yl)silyl] trifluoromethanesulfonate
CID 142554281
(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) trimethylsilyl sulfate
CID 15212634
[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate
CID 12027763

Frequently Asked Questions

What is the IUPAC name of [methyl(diphenyl)silyl] trifluoromethanesulfonate?
The IUPAC name of [methyl(diphenyl)silyl] trifluoromethanesulfonate (CID 15734356) is [methyl(diphenyl)silyl] trifluoromethanesulfonate.
What is the SMILES notation for [methyl(diphenyl)silyl] trifluoromethanesulfonate?
The canonical SMILES for [methyl(diphenyl)silyl] trifluoromethanesulfonate is C[Si](OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [methyl(diphenyl)silyl] trifluoromethanesulfonate?
The InChIKey is RMMZVIVQUFAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O3SSi/c1-22(12-8-4-2-5-9-12,13-10-6-3-7-11-13)20-21(18,19)14(15,16)17/h2-11H,1H3.
What are the key properties of [methyl(diphenyl)silyl] trifluoromethanesulfonate?
[methyl(diphenyl)silyl] trifluoromethanesulfonate has a molecular weight of 346.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(diphenyl)silyl] trifluoromethanesulfonate is sourced from PubChem (CID 15734356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).