ChemSpider 2D Image | (1R)-2,2,2-Trifluoro-1-[4-(2-methyl-2-propanyl)phenyl]ethanamine | C12H16F3N

(1R)-2,2,2-Trifluoro-1-[4-(2-methyl-2-propanyl)phenyl]ethanamine

  • Molecular FormulaC12H16F3N
  • Average mass231.257 Da
  • Monoisotopic mass231.123489 Da
  • ChemSpider ID27464330

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-2,2,2-Trifluor-1-[4-(2-methyl-2-propanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
(1R)-2,2,2-Trifluoro-1-[4-(2-methyl-2-propanyl)phenyl]ethanamine [ACD/IUPAC Name]
(1R)-2,2,2-Trifluoro-1-[4-(2-méthyl-2-propanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 4-(1,1-dimethylethyl)-α-(trifluoromethyl)-, (αR)- [ACD/Index Name]
(1R)-1-[4-(TERT-BUTYL)PHENYL]-2,2,2-TRIFLUOROETHYLAMINE
1213584-54-3 [RN]
MFCD07374663

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 264.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.3±3.0 kJ/mol
    Flash Point: 114.5±12.0 °C
    Index of Refraction: 1.467
    Molar Refractivity: 58.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.65
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 20.38
    ACD/KOC (pH 5.5): 168.54
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 144.76
    ACD/KOC (pH 7.4): 1197.13
    Polar Surface Area: 26 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 28.2±3.0 dyne/cm
    Molar Volume: 209.8±3.0 cm3

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