(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone

(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone bmse011662 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H14F2N2O

Natural Isotopic Abundance Mass: 240.24916639999984

Mono-Isotopic Molecular Masses:

  • C12N14: 240.107419518
  • C13N14: 252.14767757400006
  • C12N15: 242.101489304
  • C13N15: 254.14174736000007

InChI string: InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3

IUPAC: (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone

wwPDB CCD: ELQ

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)