chempirical

2,3,4,5,6-Pentafluorobenzamide

C7H2F5NOCAS 652-31-3211.09 g/mol

Open in Covalent MOL file
H2NOFFFFF
Aryl halide

Properties

Molecular formula
C7H2F5NO
Molar mass
211.09 g/mol
Exact mass
211.0057 Da
Melting point
147 °C
logP
2.27Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
652-31-3
SMILES
N=C(O)c1c(F)c(F)c(F)c(F)c1F
InChIKey
WPWWHXPRJFDTTJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)

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Names and synonyms

3 names
  • Benzamide, 2,3,4,5,6-pentafluoro-
  • Pentafluorobenzamide
  • NSC 96889

Work with 2,3,4,5,6-Pentafluorobenzamide

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

4-Amino-2,3,5,6-tetrafluorobenzamide1548-74-971 % similar 2,6-Difluorobenzamide18063-03-150 % similar Pentafluorobenzoic acid602-94-844 % similar Tetrafluorophthalic acid652-03-944 % similar 2,3-Difluorobenzamide18355-75-442 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzamide186517-42-042 % similar 2-Chloro-6-fluorobenzamide66073-54-941 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-840 % similar

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

Elsewhere

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