ChemSpider 2D Image | 3-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]aniline | C9H6F3N3O

3-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]aniline

  • Molecular FormulaC9H6F3N3O
  • Average mass229.159 Da
  • Monoisotopic mass229.046295 Da
  • ChemSpider ID25910319

More details:

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

1197229-53-0 [RN]
3-[5-(Trifluormethyl)-1,3,4-oxadiazol-2-yl]anilin [German] [ACD/IUPAC Name]
3-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]aniline [ACD/IUPAC Name]
3-[5-(Trifluorométhyl)-1,3,4-oxadiazol-2-yl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]- [ACD/Index Name]
2-(3-Aminophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
3-(5-Trifluoromethyl-[1,3,4]oxadiazol-2-yl)-phenylamine
3-(5-Trifluoromethyl-[1,3,4]-oxadiazol-2-yl)-phenylamine
5-(3-Aminophenyl)-2-(trifluoromethyl)-1,3,4-oxadiazole
MFCD19373784 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 313.7±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.5±3.0 kJ/mol
    Flash Point: 143.5±30.7 °C
    Index of Refraction: 1.520
    Molar Refractivity: 48.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): 1.36
    ACD/BCF (pH 5.5): 6.32
    ACD/KOC (pH 5.5): 130.16
    ACD/LogD (pH 7.4): 1.36
    ACD/BCF (pH 7.4): 6.34
    ACD/KOC (pH 7.4): 130.61
    Polar Surface Area: 65 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 159.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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