(2-triphenylsilylphenyl) trifluoromethanesulfonate

C25H19F3O3SSi — CID 135076346

IUPAC(2-triphenylsilylphenyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C25H19F3O3SSi/c26-25(27,28)32(29,30)31-23-18-10-11-19-24(23)33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyLTDQZMACKQTSEM-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.29
Rot. Bonds6

About (2-triphenylsilylphenyl) trifluoromethanesulfonate

(2-triphenylsilylphenyl) trifluoromethanesulfonate (PubChem CID 135076346) has the molecular formula C25H19F3O3SSi and a molecular weight of 484.57 g/mol. Its IUPAC name is (2-triphenylsilylphenyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-triphenylsilylphenyl) trifluoromethanesulfonate
PubChem CID135076346
Molecular FormulaC25H19F3O3SSi
Molecular Weight484.57 g/mol
Exact Mass484.08
IUPAC Name(2-triphenylsilylphenyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C25H19F3O3SSi/c26-25(27,28)32(29,30)31-23-18-10-11-19-24(23)33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyLTDQZMACKQTSEM-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.29
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
CID 3384007
Methyltriphenoxyphosphonium trifluoromethanesulfonate
CID 21150939
Diphenoxydiphenylsilane
CID 102045
Phenyl-tri(phenoxy)silane
CID 6426512
Silane, diphenyldi(2,3,4-trifluorophenoxy)-
CID 91738635
[2,4-Bis(trimethylsilyl)phenyl] trifluoromethanesulfonate
CID 56953950
[2-[(3-Fluorophenyl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
CID 102031444
[2-[Diethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 102031445
[2-[Dibutyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 102392241
(2-Trimethylsilylcyclohexa-1,3,5-trien-1-yl) trifluoromethanesulfonate
CID 134850248
[4-(Triphenylsilyloxymethyl)phenyl] trifluoromethanesulfonate
CID 134878111
[2-[Phenyl-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
CID 134941559

Frequently Asked Questions

What is the IUPAC name of (2-triphenylsilylphenyl) trifluoromethanesulfonate?
The IUPAC name of (2-triphenylsilylphenyl) trifluoromethanesulfonate (CID 135076346) is (2-triphenylsilylphenyl) trifluoromethanesulfonate.
What is the SMILES notation for (2-triphenylsilylphenyl) trifluoromethanesulfonate?
The canonical SMILES for (2-triphenylsilylphenyl) trifluoromethanesulfonate is O=S(=O)(Oc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2-triphenylsilylphenyl) trifluoromethanesulfonate?
The InChIKey is LTDQZMACKQTSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3O3SSi/c26-25(27,28)32(29,30)31-23-18-10-11-19-24(23)33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H.
What are the key properties of (2-triphenylsilylphenyl) trifluoromethanesulfonate?
(2-triphenylsilylphenyl) trifluoromethanesulfonate has a molecular weight of 484.57 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-triphenylsilylphenyl) trifluoromethanesulfonate is sourced from PubChem (CID 135076346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).