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Search term: MF = 'C_{14}H_{17}FN_{2}O'
ChemSpider 2D Image | 9a-(4-Fluorphenyl)octahydro-7H-pyrrolo[1,2-a][1,3]diazepin-7-on | C14H17FN2O

9a-(4-Fluorphenyl)octahydro-7H-pyrrolo[1,2-a][1,3]diazepin-7-on

  • Molecular FormulaC14H17FN2O
  • Average mass248.296 Da
  • Monoisotopic mass248.132492 Da
  • ChemSpider ID21470429

More details:

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

1148027-29-5 [RN]
7H-Pyrrolo[1,2-a][1,3]diazepin-7-one, 9a-(4-fluorophenyl)octahydro- [ACD/Index Name]
9a-(4-Fluorophenyl)octahydro-7H-pyrrolo[1,2-a][1,3]diazepin-7-one [ACD/IUPAC Name]
9a-(4-Fluorophényl)octahydro-7H-pyrrolo[1,2-a][1,3]diazépin-7-one [French] [ACD/IUPAC Name]
9a-(4-Fluorphenyl)octahydro-7H-pyrrolo[1,2-a][1,3]diazepin-7-on
9a-(4-Fluorphenyl)octahydro-7H-pyrrolo[1,2-a][1,3]diazepin-7-on [German] [ACD/IUPAC Name]
9a-(4-fluorophenyl)-2,3,4,5,8,9-hexahydro-1H-pyrrolo[1,2-a][1,3]diazepin-7-one
9A-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-a][1,3]diazepin-7(8H)-one
9a-(4-fluorophenyl)-hexahydro-1H-pyrrolo[1,2-a][1,3]diazepin-7-one
9a-(4-Fluorophenyl)-octahydro-1H-pyrrolo[1,2-a][1,3]diazepin-7-one
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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: 394.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 192.2±27.9 °C
    Index of Refraction: 1.589
    Molar Refractivity: 67.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.74
    ACD/KOC (pH 5.5): 42.01
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.59
    ACD/KOC (pH 7.4): 86.54
    Polar Surface Area: 32 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 48.6±5.0 dyne/cm
    Molar Volume: 200.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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