ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-fluoro-3-phenyl-2-propanyl]carbamate | C14H20FNO2

2-Methyl-2-propanyl [(2S)-1-fluoro-3-phenyl-2-propanyl]carbamate

  • Molecular FormulaC14H20FNO2
  • Average mass253.313 Da
  • Monoisotopic mass253.147812 Da
  • ChemSpider ID58804856

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-1-Fluoro-3-phényl-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-fluoro-3-phenyl-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-fluor-3-phenyl-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-fluoro-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(2S)-1-Fluoro-3-phenylpropan-2-amine, N-BOC protected
(S)-N-Boc-1-fluoro-3-phenyl-2-propylamine
2006287-06-3 [RN]
2089289-03-0 [RN]
MFCD30378947
tert-Butyl (S)-(1-fluoro-3-phenylpropan-2-yl)carbamate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 361.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 172.7±26.5 °C
    Index of Refraction: 1.489
    Molar Refractivity: 69.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 3.33
    ACD/BCF (pH 5.5): 200.63
    ACD/KOC (pH 5.5): 1547.60
    ACD/LogD (pH 7.4): 3.33
    ACD/BCF (pH 7.4): 200.62
    ACD/KOC (pH 7.4): 1547.53
    Polar Surface Area: 38 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 33.8±3.0 dyne/cm
    Molar Volume: 239.5±3.0 cm3

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