Cas no 1186195-52-7 (2-Methyl-5-(trifluoromethyl)piperazine(mixtureofcisandtransisomers))

2-Methyl-5-(trifluoromethyl)piperazine(mixtureofcisandtransisomers) structure
1186195-52-7 structure
Product Name:2-Methyl-5-(trifluoromethyl)piperazine(mixtureofcisandtransisomers)
CAS No:1186195-52-7
MF:C6H11F3N2
MW:168.160151720047
CID:3043435
PubChem ID:45790700
Update Time:2024-11-06

2-Methyl-5-(trifluoromethyl)piperazine(mixtureofcisandtransisomers) Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-5-(trifluoromethyl)piperazine(mixture of cis and trans isomers)
    • 2-Methyl-5-(trifluoromethyl)piperazine (mixture of cis and trans isomers)
    • AKOS005256354
    • 2-methyl-5-trifluoromethyl-piperazine
    • 2-methyl-5-(trifluoromethyl)piperazine
    • D76986
    • SCHEMBL15533012
    • 1186195-52-7
    • CS-0110155
    • 2-Methyl-5-(trifluoromethyl)piperazine(mixtureofcisandtransisomers)
    • Inchi: 1S/C6H11F3N2/c1-4-2-11-5(3-10-4)6(7,8)9/h4-5,10-11H,2-3H2,1H3
    • InChI Key: XXGGQLZIMGIVTM-UHFFFAOYSA-N
    • SMILES: N1CC(C(F)(F)F)NCC1C

Computed Properties

  • Exact Mass: 168.08743285g/mol
  • Monoisotopic Mass: 168.08743285g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 134
  • 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: 0.8
  • Topological Polar Surface Area: 24.1?2

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