ChemSpider 2D Image | 5-Ethynyl-2-(trifluoromethyl)pyridine | C8H4F3N

5-Ethynyl-2-(trifluoromethyl)pyridine

  • Molecular FormulaC8H4F3N
  • Average mass171.119 Da
  • Monoisotopic mass171.029587 Da
  • ChemSpider ID27474587

More details:

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

1196155-24-4 [RN]
5-Ethinyl-2-(trifluormethyl)pyridin [German] [ACD/IUPAC Name]
5-Ethynyl-2-(trifluoromethyl)pyridine [ACD/IUPAC Name]
5-Éthynyl-2-(trifluorométhyl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 5-ethynyl-2-(trifluoromethyl)- [ACD/Index Name]
[6-(Trifluoromethyl)pyridin-3-yl]acetylene
[6-(Trifluoromethyl)pyridin-3-yl]acetylene, 5-Ethynyl-α,α,α-trifluoro-2-picoline
[6-(Trifluoromethyl)pyridin-3-yl]acetylene; 5-Ethynyl-α,α,α-trifluoro-2-picoline
5-Ethynyl-α,α,α-trifluoro-2-picoline
MFCD13189725 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 164.9±40.0 °C at 760 mmHg
    Vapour Pressure: 2.5±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 38.5±3.0 kJ/mol
    Flash Point: 53.5±27.3 °C
    Index of Refraction: 1.463
    Molar Refractivity: 36.6±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.51
    ACD/KOC (pH 5.5): 313.02
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 21.51
    ACD/KOC (pH 7.4): 313.02
    Polar Surface Area: 13 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 34.0±5.0 dyne/cm
    Molar Volume: 132.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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