ChemSpider 2D Image | 3-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine | C8H7F3N2

3-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

  • Molecular FormulaC8H7F3N2
  • Average mass188.150 Da
  • Monoisotopic mass188.056137 Da
  • ChemSpider ID23499366

More details:

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

3-(Trifluormethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine [ACD/IUPAC Name]
3-(Trifluorométhyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine [French] [ACD/IUPAC Name]
5H-Pyrrolo[3,4-b]pyridine, 6,7-dihydro-3-(trifluoromethyl)- [ACD/Index Name]
905273-66-7 [RN]
T56 CM FNT&J HXFFF [WLN]
3-(trifluoromethyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4534298/
MFCD13191710 [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: 207.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.4±3.0 kJ/mol
    Flash Point: 79.5±25.9 °C
    Index of Refraction: 1.481
    Molar Refractivity: 40.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.49
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 3.37
    ACD/KOC (pH 5.5): 72.18
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.47
    ACD/KOC (pH 7.4): 117.11
    Polar Surface Area: 25 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 32.6±3.0 dyne/cm
    Molar Volume: 141.3±3.0 cm3

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