ChemSpider 2D Image | 2-Methyl-2-propanyl 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-1-piperidinecarboxylate | C11H19F2NO4

2-Methyl-2-propanyl 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-1-piperidinecarboxylate

  • Molecular FormulaC11H19F2NO4
  • Average mass267.270 Da
  • Monoisotopic mass267.128204 Da
  • ChemSpider ID61328281

More details:

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

1-Piperidinecarboxylic acid, 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3,3-difluor-4-hydroxy-5-(hydroxymethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3,3-Difluoro-4-hydroxy-5-(hydroxyméthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1936599-97-1 [RN]
MFCD28975639
MFCD28975640
tert-butyl 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 359.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±6.0 kJ/mol
    Flash Point: 171.3±27.9 °C
    Index of Refraction: 1.486
    Molar Refractivity: 60.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.15
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 45.90
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.47
    ACD/KOC (pH 7.4): 45.90
    Polar Surface Area: 70 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 42.6±5.0 dyne/cm
    Molar Volume: 208.9±5.0 cm3

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