ChemSpider 2D Image | tert-Butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate | C9H17FN2O2

tert-Butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate

  • Molecular FormulaC9H17FN2O2
  • Average mass204.242 Da
  • Monoisotopic mass204.127411 Da
  • ChemSpider ID23499487

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-3-Amino-4-fluoro-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
1009075-48-2 [RN]
1174020-30-4 [RN]
1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3S,4R)- [ACD/Index Name]
2-Methyl-2-propanyl-(3S,4R)-3-amino-4-fluor-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate
(3R,?4S)?-?rel-3-?amino-?4-?fluoro-1-?Pyrrolidinecarboxyli?c acid 1,?1-?dimethylethyl ester
(3r,4s)-1-boc-3-amino-4-fluoropyrrolidine
(3S,4R)-tert-butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 266.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.4±3.0 kJ/mol
    Flash Point: 114.7±27.3 °C
    Index of Refraction: 1.482
    Molar Refractivity: 51.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): -2.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.43
    Polar Surface Area: 56 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 37.4±5.0 dyne/cm
    Molar Volume: 179.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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