chempirical

Diphenyliodonium triflate

C13H10F3IO3SCAS 66003-76-7430.18 g/mol

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Alkyl halideAryl halideSulfonic acid

Properties

Molecular formula
C13H10F3IO3S
Molar mass
430.18 g/mol
Exact mass
429.9347 Da
Melting point
176–177 °C
logP
-0.13Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
66003-76-7
SMILES
O=S(=O)([O-])C(F)(F)F.c1ccc([I+]c2ccccc2)cc1
InChIKey
SBQIJPBUMNWUKN-UHFFFAOYSA-M
InChI
InChI=1S/C12H10I.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Iodonium, diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
  • Iodonium, diphenyl-, salt with trifluoromethanesulfonic acid (1:1)
  • Methanesulfonic acid, trifluoro-, ion(1-), diphenyliodonium
  • Diphenyliodonium trifluoromethanesulfonate
  • Diphenyliodonium trifluoromethanesulfonic acid salt
  • DPI 105
  • Methanesulfonic acid, 1,1,1-trifluoro-, diphenyliodyl ester

Work with Diphenyliodonium triflate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triphenylsulfonium triflate66003-78-964 % similar N-Fluoropyridinium triflate107263-95-651 % similar 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate129946-88-951 % similar Lutetium(III) trifluoromethanesulfonate126857-69-050 % similar Indium(III) trifluoromethanesulfonate128008-30-050 % similar 2,6-Dichloro-1-fluoropyridinium triflate130433-68-050 % similar Erbium triflate139177-64-350 % similar Scandium(III) trifluoromethanesulfonate144026-79-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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