Cas no 1215917-38-6 (2-Chloro-N-[[1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]methyl]propanamide)

2-Chloro-N-[[1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]methyl]propanamide structure
1215917-38-6 structure
Product Name:2-Chloro-N-[[1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]methyl]propanamide
CAS No:1215917-38-6
MF:C10H16ClF3N2O
MW:272.695052146912
CID:5451468
PubChem ID:60856488
Update Time:2023-08-27

2-Chloro-N-[[1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]methyl]propanamide Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
    • 2-chloro-N-{[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl}propanamide
    • EN300-7559732
    • Z594549846
    • 1215917-38-6
    • 2-Chloro-N-[[1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]methyl]propanamide
    • Inchi: 1S/C10H16ClF3N2O/c1-7(11)9(17)15-4-8-2-3-16(5-8)6-10(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)
    • InChI Key: VYUZQWVKFHJTGT-UHFFFAOYSA-N
    • SMILES: C(NCC1CCN(CC(F)(F)F)C1)(=O)C(Cl)C

Computed Properties

  • Exact Mass: 272.0903253g/mol
  • Monoisotopic Mass: 272.0903253g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 273
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • Density: 1.228±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 333.9±42.0 °C(Predicted)
  • pka: 14.31±0.46(Predicted)

2-Chloro-N-[[1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]methyl]propanamide Pricemore >>

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