chempirical

2,2,3,3,3-Pentafluoro-1-(1H-imidazol-1-yl)-1-propanone

C6H3F5N2OCAS 71735-32-5214.10 g/mol

Open in Covalent MOL file
ONNFFFFF
Alkyl halide

Properties

Molecular formula
C6H3F5N2O
Molar mass
214.10 g/mol
Exact mass
214.0166 Da
logP
1.72Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
71735-32-5
SMILES
O=C(n1ccnc1)C(F)(F)C(F)(F)F
InChIKey
VZUSRIIEPFQBNE-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F5N2O/c7-5(8,6(9,10)11)4(14)13-2-1-12-3-13/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • 1-Propanone, 2,2,3,3,3-pentafluoro-1-(1H-imidazol-1-yl)-
  • 1H-Imidazole, 1-(2,2,3,3,3-pentafluoro-1-oxopropyl)-
  • NSC 377653

Work with 2,2,3,3,3-Pentafluoro-1-(1H-imidazol-1-yl)-1-propanone

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-(Heptafluorobutyryl)imidazole32477-35-379 % similar 1-(Trifluoroacetyl)imidazole1546-79-866 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-443 % similar 1-(tert-Butoxycarbonyl)imidazole49761-82-240 % similar 1H-Imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)methanone75641-06-440 % similar Thiocarbonyldiimidazole6160-65-238 % similar 1H-Imidazol-1-ylphenylmethanone10364-94-038 % similar 1-[(Trifluoromethyl)sulfonyl]-1H-imidazole29540-81-633 % similar

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

Elsewhere

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