ChemSpider 2D Image | tert-butyl 3-(4-(fluoromethyl)pyrrolidin-3-yl)azetidine-1-carboxylate | C13H23FN2O2

tert-butyl 3-(4-(fluoromethyl)pyrrolidin-3-yl)azetidine-1-carboxylate

  • Molecular FormulaC13H23FN2O2
  • Average mass258.332 Da
  • Monoisotopic mass258.174347 Da
  • ChemSpider ID28601073

More details:

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

1373028-80-8 [RN]
1-Azetidinecarboxylic acid, 3-[4-(fluoromethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[4-(fluoromethyl)-3-pyrrolidinyl]-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[4-(fluormethyl)-3-pyrrolidinyl]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-[4-(Fluorométhyl)-3-pyrrolidinyl]-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(4-(fluoromethyl)pyrrolidin-3-yl)azetidine-1-carboxylate
AM805432
MFCD22209839
tert-butyl 3-(4-(fluoromethyl)pyrrolidin-3-yl)azetidine-1-carboxylate(wx170095)
tert-butyl 3-[4-(fluoromethyl)pyrrolidin-3-yl]azetidine-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: 337.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.1±3.0 kJ/mol
    Flash Point: 157.9±23.7 °C
    Index of Refraction: 1.483
    Molar Refractivity: 66.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.84
    ACD/LogD (pH 5.5): -1.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 234.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement