2,6-Dichloro-1-fluoropyridinium triflate

C₆H₃Cl₂F₄NO₃SCAS 130433-68-0316.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonic acid

Properties

Molecular formula: C₆H₃Cl₂F₄NO₃S
Molar mass: 316.05 g/mol
Exact mass: 314.9147 Da
logP: 2.06Crippen estimate
Polar surface area: 61.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

130433-68-0

SMILES

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

InChIKey

KDFRVNARKRKXQQ-UHFFFAOYSA-M

InChI

InChI=1S/C5H3Cl2FN.CHF3O3S/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)/q+1;/p-1

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Names and synonyms

1 names

1-Fluoro-2,6-dichloropyridinium Triflate

Work with 2,6-Dichloro-1-fluoropyridinium 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

N-Fluoropyridinium triflate107263-95-651 % similar 1-Fluoro-2,4,6-trimethylpyridinium triflate107264-00-651 % similar Zinc triflate54010-75-250 % similar Diphenyliodonium triflate66003-76-750 % similar Triphenylsulfonium triflate66003-78-950 % similar Lutetium(III) trifluoromethanesulfonate126857-69-045 % similar Indium(III) trifluoromethanesulfonate128008-30-045 % similar Erbium triflate139177-64-345 % similar

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

Elsewhere

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