ChemSpider 2D Image | 3-(Cyclopropylmethyl)-4-fluoro-1H-indole | C12H12FN

3-(Cyclopropylmethyl)-4-fluoro-1H-indole

  • Molecular FormulaC12H12FN
  • Average mass189.229 Da
  • Monoisotopic mass189.095383 Da
  • ChemSpider ID35328870

More details:

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

1779124-93-4 [RN]
1H-Indole, 3-(cyclopropylmethyl)-4-fluoro- [ACD/Index Name]
3-(Cyclopropylmethyl)-4-fluor-1H-indol [German] [ACD/IUPAC Name]
3-(Cyclopropylmethyl)-4-fluoro-1H-indole [ACD/IUPAC Name]
3-(Cyclopropylméthyl)-4-fluoro-1H-indole [French] [ACD/IUPAC Name]
KS-8882
MFCD27995775

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 331.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.2±3.0 kJ/mol
    Flash Point: 154.5±22.3 °C
    Index of Refraction: 1.669
    Molar Refractivity: 55.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 157.28
    ACD/KOC (pH 5.5): 1300.12
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 157.28
    ACD/KOC (pH 7.4): 1300.12
    Polar Surface Area: 16 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 148.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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