ChemSpider 2D Image | (3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-fluorobenzoate | C15H18FNO2

(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-fluorobenzoate

  • Molecular FormulaC15H18FNO2
  • Average mass263.307 Da
  • Monoisotopic mass263.132172 Da
  • ChemSpider ID27523952

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-fluorobenzoate [ACD/IUPAC Name]
(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-4-fluorbenzoat [German] [ACD/IUPAC Name]
172883-97-5 [RN]
4-Fluorobenzoate de (3-exo)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-, (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
(1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-fluorobenzoate
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-fluorobenzoate
3-(p-Fluorobenzoyloxy)tropane
3-Pseudotropyl 4-Fluorobenzoate
3β-(p-Fluorobenzoyloxy)tropane
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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: 344.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 161.8±25.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 70.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.29
    ACD/LogD (pH 5.5): -0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.04
    Polar Surface Area: 30 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 44.2±5.0 dyne/cm
    Molar Volume: 216.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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