ChemSpider 2D Image | Methyl 2,3,5-trifluoro-4-(1-piperidinyl)benzoate | C13H14F3NO2

Methyl 2,3,5-trifluoro-4-(1-piperidinyl)benzoate

  • Molecular FormulaC13H14F3NO2
  • Average mass273.251 Da
  • Monoisotopic mass273.097656 Da
  • ChemSpider ID30987905

More details:

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

2,3,5-Trifluoro-4-(1-pipéridinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,5-trifluoro-4-(1-piperidinyl)-, methyl ester [ACD/Index Name]
Methyl 2,3,5-trifluoro-4-(1-piperidinyl)benzoate [ACD/IUPAC Name]
Methyl-2,3,5-trifluor-4-(1-piperidinyl)benzoat [German] [ACD/IUPAC Name]
1858249-59-8 [RN]
methyl 2,3,5-trifluoro-4-(piperidin-1-yl)benzoate
Methyl 2,3,5-trifluoro-4-piperidin-1-ylbenzoate
MFCD28040510 [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: 367.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.4±3.0 kJ/mol
    Flash Point: 176.2±27.9 °C
    Index of Refraction: 1.504
    Molar Refractivity: 62.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.15
    ACD/LogD (pH 5.5): 3.56
    ACD/BCF (pH 5.5): 300.66
    ACD/KOC (pH 5.5): 2067.01
    ACD/LogD (pH 7.4): 3.56
    ACD/BCF (pH 7.4): 300.84
    ACD/KOC (pH 7.4): 2068.22
    Polar Surface Area: 30 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 37.9±3.0 dyne/cm
    Molar Volume: 212.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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