ChemSpider 2D Image | (1S)-1-[4-(Trifluoromethoxy)phenyl]ethanamine | C9H10F3NO

(1S)-1-[4-(Trifluoromethoxy)phenyl]ethanamine

  • Molecular FormulaC9H10F3NO
  • Average mass205.177 Da
  • Monoisotopic mass205.071442 Da
  • ChemSpider ID23955833

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[4-(Trifluormethoxy)phenyl]ethanamin [German] [ACD/IUPAC Name]
(1S)-1-[4-(Trifluoromethoxy)phenyl]ethanamine [ACD/IUPAC Name]
(1S)-1-[4-(Trifluorométhoxy)phényl]éthanamine [French] [ACD/IUPAC Name]
951247-75-9 [RN]
Benzenemethanamine, α-methyl-4-(trifluoromethoxy)-, (αS)- [ACD/Index Name]
(1S)-1-[4-(trifluoromethoxy)phenyl]ethan-1-amine
(1S)-1-[4-(Trifluoromethoxy)phenyl]ethylamine
(aS)-a-Methyl-4-(trifluoromethoxy)benzenemethanamine
(S)-1-(4-(trifluoromethoxy)phenyl)ethan-1-amine
(S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 204.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.3±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.1±3.0 kJ/mol
    Flash Point: 77.5±27.3 °C
    Index of Refraction: 1.468
    Molar Refractivity: 46.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): -0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.57
    Polar Surface Area: 35 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 30.3±3.0 dyne/cm
    Molar Volume: 167.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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