ChemSpider 2D Image | Methyl (3R,4S)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylate | C12H14FNO2

Methyl (3R,4S)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylate

  • Molecular FormulaC12H14FNO2
  • Average mass223.243 Da
  • Monoisotopic mass223.100861 Da
  • ChemSpider ID24541275

  • defined stereocentres - 2 of 2 defined stereocentres

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

(3R,4S)-4-(4-Fluorophényl)-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
1237171-25-3 [RN]
3-Pyrrolidinecarboxylic acid, 4-(4-fluorophenyl)-, methyl ester, (3R,4S)- [ACD/Index Name]
Methyl (3R,4S)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(3R,4S)-4-(4-fluorphenyl)-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
[939758-13-1] [RN]
1187930-65-9 [RN]
939758-13-1 [RN]
METHYL (±)-TRANS-4-(4-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLATE
methyl (3R,4S)-4-(4-fluorophenyl)pyrrolidine-3-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: 1.2±0.1 g/cm3
    Boiling Point: 306.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.7±3.0 kJ/mol
    Flash Point: 139.1±27.9 °C
    Index of Refraction: 1.511
    Molar Refractivity: 57.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): -1.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.93
    Polar Surface Area: 38 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 37.3±3.0 dyne/cm
    Molar Volume: 190.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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