chempirical

N,N′-Bis(2,3,4,5,6-pentafluorophenyl)urea

C13H2F10N2OCAS 21132-30-9392.16 g/mol

Open in Covalent MOL file
OHNFFFFFNHFFFFF
Aryl halide

Properties

Molecular formula
C13H2F10N2O
Molar mass
392.16 g/mol
Exact mass
392.0007 Da
logP
4.74Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
21132-30-9
SMILES
OC(=Nc1c(F)c(F)c(F)c(F)c1F)Nc1c(F)c(F)c(F)c(F)c1F
InChIKey
JXOIMJFRROBTTE-UHFFFAOYSA-N
InChI
InChI=1S/C13H2F10N2O/c14-1-3(16)7(20)11(8(21)4(1)17)24-13(26)25-12-9(22)5(18)2(15)6(19)10(12)23/h(H2,24,25,26)

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Names and synonyms

3 names
  • Urea, N,N′-bis(2,3,4,5,6-pentafluorophenyl)-
  • Carbanilide, 2,2′,3,3′,4,4′,5,5′,6,6′-decafluoro-
  • Urea, N,N′-bis(pentafluorophenyl)-

Work with N,N′-Bis(2,3,4,5,6-pentafluorophenyl)urea

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

Pentafluorobenzoic acid602-94-832 % similar (Pentafluorophenyl)hydrazine828-73-932 % similar

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

Elsewhere

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