ChemSpider 2D Image | tert-Butyl 3-ethynyl-3-fluoropiperidine-1-carboxylate | C12H18FNO2

tert-Butyl 3-ethynyl-3-fluoropiperidine-1-carboxylate

  • Molecular FormulaC12H18FNO2
  • Average mass227.275 Da
  • Monoisotopic mass227.132156 Da
  • ChemSpider ID57324709

More details:

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

1434142-27-4 [RN]
1-Piperidinecarboxylic acid, 3-ethynyl-3-fluoro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-ethynyl-3-fluoro-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-ethinyl-3-fluor-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-Éthynyl-3-fluoro-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-ethynyl-3-fluoropiperidine-1-carboxylate
1-BOC-3-ETHYNYL-3-FLUOROPIPERIDINE
MFCD27956887
tert-butyl3-ethynyl-3-fluoropiperidine-1-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 264.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.2±3.0 kJ/mol
    Flash Point: 113.8±27.3 °C
    Index of Refraction: 1.479
    Molar Refractivity: 59.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.02
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 53.04
    ACD/KOC (pH 5.5): 597.14
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 53.04
    ACD/KOC (pH 7.4): 597.14
    Polar Surface Area: 30 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 36.7±5.0 dyne/cm
    Molar Volume: 208.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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