Cas no 111185-41-2 (1-(Trifluoroacetyl)-2,5-dihydro-1H-pyrrole)

1-(Trifluoroacetyl)-2,5-dihydro-1H-pyrrole structure
111185-41-2 structure
Product Name:1-(Trifluoroacetyl)-2,5-dihydro-1H-pyrrole
CAS No:111185-41-2
MF:C6H6F3NO
MW:165.11315202713
CID:129149
PubChem ID:334666
Update Time:2025-04-18

1-(Trifluoroacetyl)-2,5-dihydro-1H-pyrrole Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(2,5-dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoro-
    • 1-(Trifluoroacetyl)-2,5-dihydro-1H-pyrrole
    • 1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)- (9CI)
    • 1-trifluoroacetyl-3-pyrroline
    • 2,2,2-trifluoro-1-(2H-pyrrol-1(5H)-yl)ethanone
    • 3-pyrroline trifluoroacetate
    • N-(trifluoroacetyl)-3-pyrroline
    • N-trifluoroacetyl-3-pyrroline
    • NSC340533
    • 2,2,2-trifluoro-1-(3-pyrrolin-1-yl)ethanone
    • 1-(2,5-dihydropyrrol-1-yl)-2,2,2-trifluoroethanone
    • 1-(2,5-dihydropyrrol-1-yl)-2,2,2-trifluoro-ethanone
    • AKOS005175058
    • LS-04788
    • 111185-41-2
    • 1-trifluoroacetyl-2,5-dihydropyrrole
    • SCHEMBL5383011
    • NSC-340533
    • 1-(2,5-dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethan-1-one
    • 1-(2,5-dihydro-pyrrol-1-yl)-2,2,2-trifluoro-ethanone
    • 1-(2,5-Dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethanone
    • 1H-Pyrrole,2,5-dihydro-1-(trifluoroacetyl)-(9ci)
    • MFCD18064643
    • A909277
    • DB-121827
    • ALBB-015065
    • 1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)-
    • MDL: MFCD18064643
    • Inchi: 1S/C6H6F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-2H,3-4H2
    • InChI Key: LMPPMSXOYNPRQC-UHFFFAOYSA-N
    • SMILES: FC(C(N1CC=CC1)=O)(F)F

Computed Properties

  • Exact Mass: 165.04018
  • Monoisotopic Mass: 165.04014830g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 189
  • 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: 1.1
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 230.9±40.0 °C at 760 mmHg
  • Flash Point: 93.5±27.3 °C
  • PSA: 20.31
  • Vapor Pressure: 0.1±0.5 mmHg at 25°C

1-(Trifluoroacetyl)-2,5-dihydro-1H-pyrrole Security Information

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