chempirical

Diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate

C14H10F6O3S2CAS 147531-11-1404.34 g/mol

Open in Covalent MOL file
S+FFFFFFSOOO−
Alkyl halideSulfonic acid

Properties

Molecular formula
C14H10F6O3S2
Molar mass
404.34 g/mol
Exact mass
403.9976 Da
logP
4.29Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
147531-11-1
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
InChIKey
YHEBUXDOUNWVNZ-UHFFFAOYSA-M
InChI
InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)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

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Names and synonyms

1 names
  • Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate

Work with Diphenyl-(trifluoromethyl)-sulfonium 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

Similar compounds

Triphenylsulfonium triflate66003-78-973 % similar Diphenylammonium trifluoromethanesulfonate164411-06-760 % similar Diphenyliodonium triflate66003-76-758 % similar (4-Methoxyphenyl)diphenylsulfonium triflate116808-67-456 % similar N-Fluoropyridinium triflate107263-95-647 % similar 2,6-Dichloro-1-fluoropyridinium triflate130433-68-046 % similar Erbium triflate139177-64-345 % similar Scandium(III) trifluoromethanesulfonate144026-79-945 % similar

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

Elsewhere

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