BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

(1R)-1-(4,4-difluorocyclohexyl)ethanamine

(1R)-1-(4,4-difluorocyclohexyl)ethanamine bmse012555 - Data

(1R)-1-(4,4-difluorocyclohexyl)ethanamine synonyms

Wikipedia:

Graphical representations:

(1R)-1-(4,4-difluorocyclohexyl)ethanamine

View large 3D structure

Molecular Formula: C8H15F2N

Natural Isotopic Abundance Mass: 163.2082064

Mono-Isotopic Molecular Masses:

  • C12N14: 163.117255925
  • C13N14: 171.14409462900002
  • C12N15: 164.114290818
  • C13N15: 172.14112952200003

InChI string: InChI=1S/C8H15F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h6-7H,2-5,11H2,1H3/t6-/m1/s1

EU-OPENSCREEN: EOS103344

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)