chempirical

Hexaflumuron

C16H8Cl2F6N2O3CAS 86479-06-3461.14 g/mol

Open in Covalent MOL file
OHNClOFFFFClNHOFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C16H8Cl2F6N2O3
Molar mass
461.14 g/mol
Exact mass
459.9816 Da
Density
1.7 g/mL
Melting point
202–205 °C
logP
6.06Crippen estimate
Polar surface area
74.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
86479-06-3
SMILES
OC(=Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1)N=C(O)c1c(F)cccc1F
InChIKey
RGNPBRKPHBKNKX-UHFFFAOYSA-N
InChI
InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)

Weigh it out

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

Names and synonyms

11 names
  • Benzamide, N-[[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]amino]carbonyl]-2,6-difluoro-
  • N-[[[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide
  • XRD 473
  • AI 3-29832
  • Hexafluron
  • OMS 3031
  • Sonet
  • Consult
  • Consult 100EC
  • Cosult
  • Dowco 473

Work with Hexaflumuron

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

Novaluron116714-46-663 % similar Chlorfluazuron71422-67-858 % similar Fluazuron86811-58-749 % similar Teflubenzuron83121-18-049 % similar Diflubenzuron35367-38-535 % similar 2-Chloro-6-fluorobenzoic acid434-75-335 % similar 2-Chloro-6-fluorobenzamide66073-54-935 % similar 1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene1737-10-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook