3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride

3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride bmse011269 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H12ClF3N2O

Natural Isotopic Abundance Mass: 232.63118959999989

Mono-Isotopic Molecular Masses:

  • C12N14: 232.059025354
  • C13N14: 239.08250922000002
  • C12N15: 234.05309514
  • C13N15: 241.07657900600003

InChI string: InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)5-6(13)12-3-1-11-2-4-12;/h11H,1-5H2;1H

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)