ChemSpider 2D Image | 4-Boc-8-Fluoro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine | C14H19FN2O2

4-Boc-8-Fluoro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

  • Molecular FormulaC14H19FN2O2
  • Average mass266.311 Da
  • Monoisotopic mass266.143066 Da
  • ChemSpider ID21373575

More details:

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

1,1-Dimethylethyl 8-fluoro-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate
2-Methyl-2-propanyl 8-fluoro-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-fluor-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-carboxylat [German] [ACD/IUPAC Name]
4-Boc-8-Fluoro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
4H-1,4-Benzodiazepine-4-carboxylic acid, 8-fluoro-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
886364-28-9 [RN]
8-Fluoro-1,2,3,5-tétrahydro-4H-1,4-benzodiazépine-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD07369866 [MDL number]
tert-Butyl 8-fluoro-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate
tert-Butyl 8-fluoro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 367.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.4±3.0 kJ/mol
    Flash Point: 176.0±27.9 °C
    Index of Refraction: 1.515
    Molar Refractivity: 70.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 3.13
    ACD/BCF (pH 5.5): 140.45
    ACD/KOC (pH 5.5): 1192.90
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 142.95
    ACD/KOC (pH 7.4): 1214.14
    Polar Surface Area: 42 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 37.8±3.0 dyne/cm
    Molar Volume: 232.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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