chempirical

1H-Imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)methanone

C10H3F5N2OCAS 75641-06-4262.14 g/mol

Open in Covalent MOL file
OFFFFFNN
Aryl halide

Properties

Molecular formula
C10H3F5N2O
Molar mass
262.14 g/mol
Exact mass
262.0166 Da
logP
2.27Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
75641-06-4
SMILES
O=C(c1c(F)c(F)c(F)c(F)c1F)n1ccnc1
InChIKey
DOLREFXBQXCDOR-UHFFFAOYSA-N
InChI
InChI=1S/C10H3F5N2O/c11-5-4(10(18)17-2-1-16-3-17)6(12)8(14)9(15)7(5)13/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Methanone, 1H-imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)-
  • 1H-Imidazole, 1-(pentafluorobenzoyl)-
  • NSC 379661

Work with 1H-Imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)methanone

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

1H-Imidazol-1-ylphenylmethanone10364-94-053 % similar 1-(Trifluoroacetyl)imidazole1546-79-843 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-443 % similar 2,2,3,3,3-Pentafluoro-1-(1H-imidazol-1-yl)-1-propanone71735-32-540 % similar Thiocarbonyldiimidazole6160-65-238 % similar N-(Heptafluorobutyryl)imidazole32477-35-337 % similar 1-(tert-Butoxycarbonyl)imidazole49761-82-237 % similar Decafluorobenzophenone853-39-434 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook