ChemSpider 2D Image | 3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine | C8H7F3N2

3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

  • Molecular FormulaC8H7F3N2
  • Average mass188.150 Da
  • Monoisotopic mass188.056137 Da
  • ChemSpider ID24540471

More details:

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

1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-3-(trifluoromethyl)- [ACD/Index Name]
3-(Trifluormethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
3-(Trifluorométhyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
1150618-34-0 [RN]
3-(trifluoromethyl)-1H,2H,3H-pyrrolo[2,3-b]pyridine
3-(trifluoromethyl)-2-pyrrolino[2,3-b]pyridine
5-fluorobenzo[c]isoxazol-3(1H)-one
MFCD12024501

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 219.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.6±3.0 kJ/mol
    Flash Point: 86.8±27.3 °C
    Index of Refraction: 1.480
    Molar Refractivity: 40.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 3.61
    ACD/KOC (pH 5.5): 56.45
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 15.94
    ACD/KOC (pH 7.4): 249.38
    Polar Surface Area: 25 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 33.2±3.0 dyne/cm
    Molar Volume: 140.9±3.0 cm3

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