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

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

1-(2,2,3,3,3-Pentafluoro-1-oxopropyl)-1H-imidazole71735-32-579 % similar 1-(Trifluoroacetyl)imidazole1546-79-860 % similar 1,1'-Oxalyldiimidazole18637-83-743 % similar 1,1′-Carbonyldiimidazole530-62-143 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook