chempirical

N-(Heptafluorobutyryl)imidazole

C7H3F7N2OCAS 32477-35-3264.10 g/mol

Open in Covalent MOL file
ONNFFFFFFF
Alkyl halide

Properties

Molecular formula
C7H3F7N2O
Molar mass
264.10 g/mol
Exact mass
264.0134 Da
logP
2.36Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
32477-35-3
SMILES
O=C(n1ccnc1)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
MSYHGYDAVLDKCE-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • 1-Butanone, 2,2,3,3,4,4,4-heptafluoro-1-(1H-imidazol-1-yl)-
  • Imidazole, 1-(heptafluorobutyryl)-
  • 1H-Imidazole, 1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-
  • 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone
  • 1-(Heptafluorobutyryl)imidazole
  • NSC 151966
  • 2,2,3,3,4,4,4-Heptafluoro-1-imidazol-1-ylbutan-1-one

Work with N-(Heptafluorobutyryl)imidazole

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

2,2,3,3,3-Pentafluoro-1-(1H-imidazol-1-yl)-1-propanone71735-32-579 % similar 1-(Trifluoroacetyl)imidazole1546-79-860 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-439 % similar Sodium heptafluorobutyrate2218-54-438 % similar Silver heptafluorobutyrate3794-64-738 % similar 1-(tert-Butoxycarbonyl)imidazole49761-82-237 % similar 1H-Imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)methanone75641-06-437 % similar Heptafluorobutyric anhydride336-59-437 % similar

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

Elsewhere

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