ChemSpider 2D Image | (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo(3.1.0)hexan-2-one | C11H9FO2

(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo(3.1.0)hexan-2-one

  • Molecular FormulaC11H9FO2
  • Average mass192.186 Da
  • Monoisotopic mass192.058655 Da
  • ChemSpider ID32702392

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo(3.1.0)hexan-2-one
(1S,5R)-1-(3-Fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one [ACD/IUPAC Name]
(1S,5R)-1-(3-Fluorophényl)-3-oxabicyclo[3.1.0]hexan-2-one [French] [ACD/IUPAC Name]
(1S,5R)-1-(3-Fluorphenyl)-3-oxabicyclo[3.1.0]hexan-2-on [German] [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexan-2-one, 1-(3-fluorophenyl)-, (1S,5R)- [ACD/Index Name]
528587-70-4 [RN]
(1S,5R)-2-oxo-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexane
1-(3-FLUOROPHENYL)-3-OXABICYCLO(3.1.0)HEXAN-2-ONE, (1S,5R)-

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

4JL6E5QY7S [DBID]
UNII:4JL6E5QY7S [DBID]
UNII-4JL6E5QY7S [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 344.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.9±3.0 kJ/mol
    Flash Point: 156.9±20.8 °C
    Index of Refraction: 1.599
    Molar Refractivity: 47.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 2.94
    ACD/KOC (pH 5.5): 75.30
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.94
    ACD/KOC (pH 7.4): 75.30
    Polar Surface Area: 26 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 138.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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