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Home> Encyclopedia > Hot Product Listed D   > Direct Violet 66
679-83-4 structure

Direct Violet 66

Iupac Name:3,3-difluoropentan-2-one
CAS No.:679-83-4
Molecular Weight:122.115
Molecular Formula:C5H8F2O (isomer)
Names and Identifiers
Synonyms

2-Pentanone, 3,3-difluoro- (7CI,8CI,9CI) 3,3-difluoro-2-pentanone 3,3-difluoro-pentan-2-one direct violet 66 directviolet66 SCHEMBL810059 ZINC39068098

Inchi
InChI=1S/C5H8F2O/c1-3-5(6,7)4(2)8/h3H2,1-2H3
InChkey
UWOFGIXNNCPENM-UHFFFAOYSA-N
Canonical Smiles
CCC(C(=O)C)(F)F
Precursor and Product
precursor:
600-14-6
600-14-6
Computational chemical data
  • Molecular Weight:122.115g/mol
  • Molecular Formula:C5H8F2O
  • Compound Is Canonicalized:True
  • Exact Mass:122.054
  • Monoisotopic Mass:122.054
  • Complexity:98.6
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgIYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAAAAAACASAgBACAAAAAAAI AIAQAAAAAAAAAAAAAAEAAAAAABIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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