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

2-Ethynyl-5-(trifluoromethyl)pyridine

  • Molecular FormulaC8H4F3N
  • Average mass171.119 Da
  • Monoisotopic mass171.029587 Da
  • ChemSpider ID27474546

More details:

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

2-Ethinyl-5-(trifluormethyl)pyridin [German] [ACD/IUPAC Name]
2-Ethynyl-5-(trifluoromethyl)pyridine [ACD/IUPAC Name]
2-Éthynyl-5-(trifluorométhyl)pyridine [French] [ACD/IUPAC Name]
379670-42-5 [RN]
MFCD13189717 [MDL number]
Pyridine, 2-ethynyl-5-(trifluoromethyl)- [ACD/Index Name]
[379670-42-5] [RN]
[5-(Trifluoromethyl)pyridin-2-yl]acetylene
[5-(Trifluoromethyl)pyridin-2-yl]acetylene, 6-Ethynyl-α,α,α-trifluoro-3-picoline
[5-(Trifluoromethyl)pyridin-2-yl]acetylene; 6-Ethynyl-α,α,α-trifluoro-3-picoline
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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: 176.4±40.0 °C at 760 mmHg
    Vapour Pressure: 1.5±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.6±3.0 kJ/mol
    Flash Point: 60.5±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): 1.99
    ACD/BCF (pH 5.5): 19.11
    ACD/KOC (pH 5.5): 287.62
    ACD/LogD (pH 7.4): 1.99
    ACD/BCF (pH 7.4): 19.11
    ACD/KOC (pH 7.4): 287.62
    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

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