Organofluorine / Alfa Chemistry
1-Fluoro-4-(2,2,2-trifluoroethyl)-1,4-diazoniabicyclo-[2,2,2]octane Ditriflate

1-Fluoro-4-(2,2,2-trifluoroethyl)-1,4-diazoniabicyclo-[2,2,2]octane Ditriflate

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1-Fluoro-4-(2,2,2-trifluoroethyl)-1,4-diazoniabicyclo-[2,2,2]octane Ditriflate
Catalog OFC140681512
CAS 140681-51-2
Category Other Fluorinated Group Introducing Agents
Synonyms 1,4-Diazoniabicyclo[2.2.2]octane, 1-fluoro-4-(2,2,2-trifluoroethyl)-, 1,1,1-trifluoromethanesulfonate (1:2)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C8H14F4N2.2CHF3O3S/c9-8(10,11)7-13-1-4-14(12,5-2-13)6-3-13;2*2-1(3,4)8(5,6)7/h1-7H2;2*(H,5,6,7)/q+2;;/p-2
InChI Key BREANNDRWHGYMP-UHFFFAOYSA-L
Canonical SMILES FC(F)(F)C[N+]12CC[N+](F)(CC1)CC2.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
Molecular Formula C10H14F10N2O6S2
Molecular Weight 512.344
Melting Point 208-210 °C
Exact Mass 512.0134

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