ChemSpider 2D Image | (2S)-1-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-2-phenyl-3-buten-2-amine | C20H19F6NO

(2S)-1-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-2-phenyl-3-buten-2-amine

  • Molecular FormulaC20H19F6NO
  • Average mass403.361 Da
  • Monoisotopic mass403.137085 Da
  • ChemSpider ID73997272

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-{(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}-2-phenyl-3-buten-2-amin [German] [ACD/IUPAC Name]
(2S)-1-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-2-phenyl-3-buten-2-amine [ACD/IUPAC Name]
(2S)-1-{(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}-2-phényl-3-butén-2-amine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-α-ethenyl-, (αS)- [ACD/Index Name]
(S)-1-((R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-2-PHENYLBUT-3-EN-2-AMINE
1214741-13-5 [RN]
MFCD22741781

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 380.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.8±3.0 kJ/mol
    Flash Point: 183.7±27.9 °C
    Index of Refraction: 1.490
    Molar Refractivity: 93.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.82
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 27.47
    ACD/KOC (pH 5.5): 71.11
    ACD/LogD (pH 7.4): 4.69
    ACD/BCF (pH 7.4): 1370.02
    ACD/KOC (pH 7.4): 3546.94
    Polar Surface Area: 35 Å2
    Polarizability: 37.0±0.5 10-24cm3
    Surface Tension: 30.4±3.0 dyne/cm
    Molar Volume: 322.7±3.0 cm3

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