ChemSpider 2D Image | 1-Boc-2-(4-(trifluoromethyl)phenyl)piperazine | C16H21F3N2O2

1-Boc-2-(4-(trifluoromethyl)phenyl)piperazine

  • Molecular FormulaC16H21F3N2O2
  • Average mass330.345 Da
  • Monoisotopic mass330.155518 Da
  • ChemSpider ID34066469

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Boc-2-(4-(trifluoromethyl)phenyl)piperazine
1-Piperazinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-[4-(Trifluorométhyl)phényl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[4-(trifluoromethyl)phenyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[4-(trifluormethyl)phenyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
886767-97-1 [RN]
2-(4-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
MFCD08686046
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperazine-1-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 389.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.9±3.0 kJ/mol
    Flash Point: 189.4±27.9 °C
    Index of Refraction: 1.484
    Molar Refractivity: 79.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 1.74
    ACD/KOC (pH 5.5): 12.28
    ACD/LogD (pH 7.4): 3.00
    ACD/BCF (pH 7.4): 84.41
    ACD/KOC (pH 7.4): 595.86
    Polar Surface Area: 42 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 33.7±3.0 dyne/cm
    Molar Volume: 278.4±3.0 cm3

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