ChemSpider 2D Image | 2-(2-Amino-5-chlorophenyl)-1,1,1-trifluoro-3-heptyn-2-ol | C13H13ClF3NO

2-(2-Amino-5-chlorophenyl)-1,1,1-trifluoro-3-heptyn-2-ol

  • Molecular FormulaC13H13ClF3NO
  • Average mass291.697 Da
  • Monoisotopic mass291.063782 Da
  • ChemSpider ID48057395

More details:

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

2-(2-Amino-5-chlorophenyl)-1,1,1-trifluoro-3-heptyn-2-ol [ACD/IUPAC Name]
2-(2-Amino-5-chlorophényl)-1,1,1-trifluoro-3-heptyn-2-ol [French] [ACD/IUPAC Name]
2-(2-Amino-5-chlorphenyl)-1,1,1-trifluor-3-heptin-2-ol [German] [ACD/IUPAC Name]
Benzenemethanol, 2-amino-5-chloro-α-1-pentyn-1-yl-α-(trifluoromethyl)- [ACD/Index Name]
1346604-06-5 [RN]
1797114-07-8 [RN]
2-(2-amino-5-chlorophenyl)-1,1,1-trifluorohept-3-yn-2-ol
2-Amino-??-1-pentynyl-5-chloro-??-(trifluoromethyl)-benzenemethanol
2-amino-α-1-pentynyl-5-chloro-α-(trifluoromethyl)-benzenemethanol

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 405.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 199.2±28.7 °C
    Index of Refraction: 1.536
    Molar Refractivity: 67.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.48
    ACD/LogD (pH 5.5): 3.55
    ACD/BCF (pH 5.5): 293.91
    ACD/KOC (pH 5.5): 2033.60
    ACD/LogD (pH 7.4): 3.55
    ACD/BCF (pH 7.4): 291.23
    ACD/KOC (pH 7.4): 2015.06
    Polar Surface Area: 46 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 42.7±3.0 dyne/cm
    Molar Volume: 217.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement