ChemSpider 2D Image | 6-(Trifluoromethyl)isoquinoline | C10H6F3N

6-(Trifluoromethyl)isoquinoline

  • Molecular FormulaC10H6F3N
  • Average mass197.156 Da
  • Monoisotopic mass197.045227 Da
  • ChemSpider ID28535861

More details:

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

1194375-62-6 [RN]
6-(Trifluormethyl)isochinolin [German] [ACD/IUPAC Name]
6-(Trifluorométhyl)isoquinoléine [French] [ACD/IUPAC Name]
6-(Trifluoromethyl)isoquinoline [ACD/IUPAC Name]
Isoquinoline, 6-(trifluoromethyl)- [ACD/Index Name]
[1194375-62-6] [RN]
MFCD11226967 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 258.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.6±3.0 kJ/mol
    Flash Point: 109.8±25.9 °C
    Index of Refraction: 1.540
    Molar Refractivity: 47.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.53
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 93.69
    ACD/KOC (pH 5.5): 886.97
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 97.53
    ACD/KOC (pH 7.4): 923.38
    Polar Surface Area: 13 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 33.8±3.0 dyne/cm
    Molar Volume: 150.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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