chempirical

O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride

C7H5ClF5NOCAS 57981-02-9249.57 g/mol

Open in Covalent MOL file
HClH2NOFFFFF
Aryl halidePrimary amine

Properties

Molecular formula
C7H5ClF5NO
Molar mass
249.57 g/mol
Exact mass
248.9980 Da
Melting point
227 °C
logP
2.19Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
57981-02-9
SMILES
Cl.NOCc1c(F)c(F)c(F)c(F)c1F
InChIKey
HVMVKNXIMUCYJA-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H

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Names and synonyms

9 names
  • Hydroxylamine, O-[(2,3,4,5,6-pentafluorophenyl)methyl]-, hydrochloride (1:1)
  • Hydroxylamine, O-[(pentafluorophenyl)methyl]-, hydrochloride
  • 2,3,4,5,6-Pentafluorobenzyloxyamine hydrochloride
  • Pentafluorobenzyloxyamine hydrochloride
  • O-[(2,3,4,5,6-Pentafluorophenyl)methyl]hydroxylamine hydrochloride
  • O-(Pentafluorobenzyl)hydroxylamine hydrochloride
  • N-[(2,3,4,5,6-Pentafluorobenzyl)oxy]amine hydrochloride
  • O-(Pentafluorobenzyl)hydroxyamine hydrochloride
  • ((Perfluorophenyl)methoxy)amine hydrochloride

Work with O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride

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

O-Benzylhydroxylamine hydrochloride2687-43-640 % similar O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-534 % similar O-Ethylhydroxylamine hydrochloride3332-29-433 % similar Pentafluorobenzyl alcohol440-60-833 % similar 2,3,4,5,6-Pentafluorobenzyl chloride653-35-033 % similar O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-231 % similar 1,2,3,4,5-Pentafluoro-6-(2-propen-1-yl)benzene1736-60-330 % similar O-Allylhydroxylamine hydrochloride38945-21-030 % similar

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

Elsewhere

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