(Perfluoro-N-octyl)phenyliodonium trifluoromethanesulfonate

C₁₅H₅F₂₀IO₃SCAS 77758-89-5772.13 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonic acid

Properties

Molecular formula: C₁₅H₅F₂₀IO₃S
Molar mass: 772.13 g/mol
Exact mass: 771.8685 Da
logP: 3.96Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

77758-89-5

SMILES

C1=CC=C(C=C1)[I+]C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChIKey

LQSJCHNACSIGQK-UHFFFAOYSA-M

InChI

InChI=1S/C14H5F17I.CHF3O3S/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)32-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1

Weigh it out

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

Work with (Perfluoro-N-octyl)phenyliodonium trifluoromethanesulfonate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Zinc triflate54010-75-2Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt Yttrium triflate52093-30-8Salt Diphenyliodonium triflate66003-76-7Salt

Similar compounds

Triphenylsulfonium nonafluorobutanesulfonate144317-44-247 % similar Potassium perfluorooctanesulfonate2795-39-339 % similar Potassium perfluorohexanesulfonate3871-99-639 % similar Lithium nonafluorobutanesulfonate131651-65-537 % similar Potassium perfluorobutanesulfonate29420-49-337 % similar Hafnium(IV) trifluoromethanesulfonate161337-67-337 % similar Tetraethylammonium perfluorooctanesulfonate56773-42-335 % similar 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one559-91-130 % similar

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

Elsewhere

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