ChemSpider 2D Image | 2-[(1R)-1-Amino-2,2,2-trifluoroethyl]-4-butoxyphenol | C12H16F3NO2

2-[(1R)-1-Amino-2,2,2-trifluoroethyl]-4-butoxyphenol

  • Molecular FormulaC12H16F3NO2
  • Average mass263.256 Da
  • Monoisotopic mass263.113312 Da
  • ChemSpider ID27465040

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-1-Amino-2,2,2-trifluorethyl]-4-butoxyphenol [German] [ACD/IUPAC Name]
2-[(1R)-1-Amino-2,2,2-trifluoroethyl]-4-butoxyphenol [ACD/IUPAC Name]
2-[(1R)-1-Amino-2,2,2-trifluoroéthyl]-4-butoxyphénol [French] [ACD/IUPAC Name]
Phenol, 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-butoxy- [ACD/Index Name]
2-((1R)-1-AMINO-2,2,2-TRIFLUOROETHYL)-4-BUTOXYPHENOL
MFCD11010611

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 356.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 169.4±27.9 °C
    Index of Refraction: 1.491
    Molar Refractivity: 62.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 3.29
    ACD/KOC (pH 5.5): 44.47
    ACD/LogD (pH 7.4): 2.16
    ACD/BCF (pH 7.4): 25.27
    ACD/KOC (pH 7.4): 341.67
    Polar Surface Area: 55 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 35.9±3.0 dyne/cm
    Molar Volume: 215.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement