chempirical

1-Fluoro-2,4,6-trimethylpyridinium triflate

C9H11F4NO3SCAS 107264-00-6289.24 g/mol

Open in Covalent MOL file
N+FFFFSOOO−
Alkyl halideSulfonic acid

Properties

Molecular formula
C9H11F4NO3S
Molar mass
289.24 g/mol
Exact mass
289.0396 Da
logP
1.68Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
107264-00-6
SMILES
CC1=CC(=[N+](C(=C1)C)F)C.C(F)(F)(F)S(=O)(=O)[O-]
InChIKey
PRIGFEJKMMRJSF-UHFFFAOYSA-M
InChI
InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1

Weigh it out

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

Work with 1-Fluoro-2,4,6-trimethylpyridinium 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

2,6-Dichloro-1-fluoropyridinium triflate130433-68-051 % similar 1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate109705-14-849 % similar N-Fluoropyridinium triflate107263-95-645 % similar Lutetium(III) trifluoromethanesulfonate126857-69-043 % similar Indium(III) trifluoromethanesulfonate128008-30-043 % similar Erbium triflate139177-64-343 % similar Scandium(III) trifluoromethanesulfonate144026-79-943 % similar Barium bis(trifluoromethanesulfonate)2794-60-743 % similar

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

Elsewhere

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