(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone

(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone bmse011231 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H11F2NO

Natural Isotopic Abundance Mass: 211.20794639999988

Mono-Isotopic Molecular Masses:

  • C12N14: 211.080870417
  • C13N14: 222.11777363500005
  • C12N15: 212.07790531
  • C13N15: 223.11480852800005

InChI string: InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2

IUPAC: (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone

wwPDB CCD: NX7

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)