ChemSpider 2D Image | 4-(2-Fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid | C17H20FNO4

4-(2-Fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

  • Molecular FormulaC17H20FNO4
  • Average mass321.343 Da
  • Monoisotopic mass321.137634 Da
  • ChemSpider ID29809494

More details:

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

1-Oxa-4-azaspiro[4.5]decane-3-carboxylic acid, 4-(2-fluorobenzoyl)-8-methyl- [ACD/Index Name]
4-(2-Fluorbenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-carbonsäure [German] [ACD/IUPAC Name]
4-(2-Fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-(2-fluorobenzoyl)-8-méthyl-1-oxa-4-azaspiro[4.5]décane-3-carboxylique [French] [ACD/IUPAC Name]
1326810-80-3 [RN]
atoms 23 bonds 25
MFCD19706174

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 522.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.8±3.0 kJ/mol
    Flash Point: 270.0±30.1 °C
    Index of Refraction: 1.582
    Molar Refractivity: 81.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.02
    ACD/LogD (pH 7.4): -1.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 32.1±0.5 10-24cm3
    Surface Tension: 54.0±5.0 dyne/cm
    Molar Volume: 243.1±5.0 cm3

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