ChemSpider 2D Image | tert-butyl ((3R,4S)-4-fluoropyrrolidin-3-yl)carbamate | C9H17FN2O2

tert-butyl ((3R,4S)-4-fluoropyrrolidin-3-yl)carbamate

  • Molecular FormulaC9H17FN2O2
  • Average mass204.242 Da
  • Monoisotopic mass204.127411 Da
  • ChemSpider ID29361184

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4S)-4-Fluoro-3-pyrrolidinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1033718-91-0 [RN]
2-Methyl-2-propanyl [(3R,4S)-4-fluoro-3-pyrrolidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3R,4S)-4-fluor-3-pyrrolidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3R,4S)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl ((3R,4S)-4-fluoropyrrolidin-3-yl)carbamate
(3R,4S)-(4-Fluoropyrrolidin-3-yl)carbamic acid tert-butyl ester
(3R,4S)-(4-Fluoro-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
(3r,4s)-3-(boc-amino)-4-fluoro-pyrrolidine
[213388-72-8] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 295.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.5±3.0 kJ/mol
    Flash Point: 132.4±27.3 °C
    Index of Refraction: 1.464
    Molar Refractivity: 50.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): -1.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.32
    Polar Surface Area: 50 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 33.5±5.0 dyne/cm
    Molar Volume: 184.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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