chempirical

Rufinamide

C10H8F2N4OCAS 106308-44-5238.20 g/mol

Open in Covalent MOL file
NH2ONFFNN
Aryl halide

Properties

Molecular formula
C10H8F2N4O
Molar mass
238.20 g/mol
Exact mass
238.0666 Da
Melting point
236–237 °C
logP
1.49Crippen estimate
Polar surface area
74.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
106308-44-5
SMILES
N=C(O)c1cn(Cc2c(F)cccc2F)nn1
InChIKey
POGQSBRIGCQNEG-UHFFFAOYSA-N
InChI
InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)

Weigh it out

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

Names and synonyms

9 names
  • 1H-1,2,3-Triazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-
  • 1-[(2,6-Difluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
  • CGP 33101
  • RUF 331
  • Inovelon
  • E 2080
  • 1-[(2,6-Difiuorophenyl)methyl]-1H-1,2,3-triazole-4 carboxamide
  • Banzel
  • 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide

Work with Rufinamide

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-Difluorobenzamide18063-03-146 % similar 2,3-Difluorobenzamide18355-75-441 % similar 2-Fluorobenzamide445-28-340 % similar 2-Chloro-6-fluorobenzamide66073-54-940 % similar 3,4-Difluorobenzamide85118-04-336 % similar 2,6-Difluorobenzeneacetic acid85068-28-636 % similar 2,6-Difluorobenzenemethanol19064-18-734 % similar 2-Pyridinecarboxamide1452-77-334 % similar

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

Elsewhere

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