Found 590 results

Search term: MF = 'C_{9}H_{10}F_{3}N_{3}'
ChemSpider 2D Image | 3-(Trifluoromethyl)-4,5,11-triazatricyclo[6.2.1.0~2,6~]undeca-2(6),3-diene | C9H10F3N3

3-(Trifluoromethyl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

  • Molecular FormulaC9H10F3N3
  • Average mass217.191 Da
  • Monoisotopic mass217.082687 Da
  • ChemSpider ID35491772

More details:

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

3-(Trifluormethyl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene [ACD/IUPAC Name]
3-(Trifluorométhyl)-4,5,11-triazatricyclo[6.2.1.02,6]undéca-2(6),3-diène [French] [ACD/IUPAC Name]
4,7-Iminocyclohepta[c]pyrazole, 1,4,5,6,7,8-hexahydro-3-(trifluoromethyl)- [ACD/Index Name]
1708250-47-8 [RN]
3-(Trifluoromethyl)-1,4,5,6,7,8-hexahydro-4,7-epiminocyclohepta[c]pyrazole
3-Trifluoromethyl-4,5,11-triaza-tricyclo[6.2.1.0*2,6*]undeca-2(6),3-diene
MFCD26128943

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 329.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 153.0±26.5 °C
    Index of Refraction: 1.517
    Molar Refractivity: 46.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): -1.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.89
    Polar Surface Area: 41 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 153.8±3.0 cm3

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