ChemSpider 2D Image | (1R)-3-Methyl-1-[3-(trifluoromethyl)phenyl]-1-butanamine | C12H16F3N

(1R)-3-Methyl-1-[3-(trifluoromethyl)phenyl]-1-butanamine

  • Molecular FormulaC12H16F3N
  • Average mass231.257 Da
  • Monoisotopic mass231.123489 Da
  • ChemSpider ID73991068

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-3-Methyl-1-[3-(trifluormethyl)phenyl]-1-butanamin [German] [ACD/IUPAC Name]
(1R)-3-Methyl-1-[3-(trifluoromethyl)phenyl]-1-butanamine [ACD/IUPAC Name]
(1R)-3-Méthyl-1-[3-(trifluorométhyl)phényl]-1-butanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-(2-methylpropyl)-3-(trifluoromethyl)-, (αR)- [ACD/Index Name]
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
1704840-03-8 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 240.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.7±3.0 kJ/mol
    Flash Point: 102.0±10.6 °C
    Index of Refraction: 1.466
    Molar Refractivity: 58.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 0.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.11
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 7.22
    ACD/KOC (pH 7.4): 52.13
    Polar Surface Area: 26 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 28.5±3.0 dyne/cm
    Molar Volume: 210.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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