Cas no 70399-10-9 (1,5-Dihydro-1-(trifluoroacetyl)-2H-pyrrol-2-one)

1,5-Dihydro-1-(trifluoroacetyl)-2H-pyrrol-2-one structure
70399-10-9 structure
Product Name:1,5-Dihydro-1-(trifluoroacetyl)-2H-pyrrol-2-one
CAS No:70399-10-9
MF:C6H4F3NO2
MW:179.096672058105
CID:867777
PubChem ID:12505877
Update Time:2025-04-19

1,5-Dihydro-1-(trifluoroacetyl)-2H-pyrrol-2-one Chemical and Physical Properties

Names and Identifiers

    • 1-(2,2,2-trifluoroacetyl)-2H-pyrrol-5-one
    • 2H-Pyrrol-2-one, 1,5-dihydro-1-(trifluoroacetyl)- (9CI)
    • 1-(2,2,2-Trifluoroacetyl)-1H-pyrrol-2(5H)-one
    • 70399-10-9
    • DTXSID30500700
    • 1-(Trifluoroacetyl)-1,5-dihydro-2H-pyrrol-2-one
    • 1,5-DIHYDRO-1-(TRIFLUOROACETYL)-2H-PYRROL-2-ONE
    • 1,5-Dihydro-1-(trifluoroacetyl)-2H-pyrrol-2-one
    • Inchi: 1S/C6H4F3NO2/c7-6(8,9)5(12)10-3-1-2-4(10)11/h1-2H,3H2
    • InChI Key: QKVQDTNZGFWMSG-UHFFFAOYSA-N
    • SMILES: FC(C(N1C(C=CC1)=O)=O)(F)F

Computed Properties

  • Exact Mass: 179.01941286g/mol
  • Monoisotopic Mass: 179.01941286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 256
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 37.4?2
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