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Search term: 1218764-11-4 (Found by approved synonym)
ChemSpider 2D Image | (3R,4S)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid | C16H20FNO4

(3R,4S)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC16H20FNO4
  • Average mass309.333 Da
  • Monoisotopic mass309.137634 Da
  • ChemSpider ID24541262

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid
(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
(3R,4S)-4-(4-Fluorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3R,4S)-4-(4-Fluorphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-(4-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)- [ACD/Index Name]
1218764-11-4 [RN]
Acide (3R,4S)-4-(4-fluorophényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
MFCD04115135 [MDL number]
(±)-trans-1-Boc-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylic acid
(3R,4S)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 439.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 219.9±28.7 °C
    Index of Refraction: 1.537
    Molar Refractivity: 77.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 5.83
    ACD/KOC (pH 5.5): 55.12
    ACD/LogD (pH 7.4): -0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 47.0±3.0 dyne/cm
    Molar Volume: 247.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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