[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate

C14H10F6O6S3 — CID 134934355

IUPAC[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OS(OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F6O6S3/c15-13(16,17)28(21,22)25-27(11-7-3-1-4-8-11,12-9-5-2-6-10-12)26-29(23,24)14(18,19)20/h1-10H
InChIKeyWHKNUVCUSZDJPL-UHFFFAOYSA-N
MW484.42 g/mol
LogP4.47
Rot. Bonds6

About [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate

[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate (PubChem CID 134934355) has the molecular formula C14H10F6O6S3 and a molecular weight of 484.42 g/mol. Its IUPAC name is [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate
PubChem CID134934355
Molecular FormulaC14H10F6O6S3
Molecular Weight484.42 g/mol
Exact Mass483.95
IUPAC Name[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OS(OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F6O6S3/c15-13(16,17)28(21,22)25-27(11-7-3-1-4-8-11,12-9-5-2-6-10-12)26-29(23,24)14(18,19)20/h1-10H
InChIKeyWHKNUVCUSZDJPL-UHFFFAOYSA-N
XLogP4.47
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfone
CID 31386
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Bis(phenylsulfonyl)methane
CID 76948
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
trans-1,2-Bis(phenylsulfonyl)ethylene
CID 5367099
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
2,3,5,6-Tetrafluoro-4-(phenylthio)benzenesulfonamide
CID 71584203
2,3,5,6-Tetrafluoro-4-(phenylsulfonyl)benzenesulfonamide
CID 71584326
1,1'-((1Z)-1,2-Ethenediylbis(sulfonyl))bis(benzene)
CID 5383944
Phenyl Trifluoromethyl Sulfone
CID 555605
Benzenesulfonic acid, 3-(phenylsulfonyl)-, potassium salt (1:1)
CID 23686562
Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 11729320

Frequently Asked Questions

What is the IUPAC name of [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate?
The IUPAC name of [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate (CID 134934355) is [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate.
What is the SMILES notation for [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate?
The canonical SMILES for [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate is O=S(=O)(OS(OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate?
The InChIKey is WHKNUVCUSZDJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6O6S3/c15-13(16,17)28(21,22)25-27(11-7-3-1-4-8-11,12-9-5-2-6-10-12)26-29(23,24)14(18,19)20/h1-10H.
What are the key properties of [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate?
[diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate has a molecular weight of 484.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(trifluoromethylsulfonyloxy)-λ4-sulfanyl] trifluoromethanesulfonate is sourced from PubChem (CID 134934355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).