ChemSpider 2D Image | Ethyl-6-fluor-1,2,3,4-tetrahydroisochinolin-1-carboxylat | C12H14FNO2

Ethyl-6-fluor-1,2,3,4-tetrahydroisochinolin-1-carboxylat

  • Molecular FormulaC12H14FNO2
  • Average mass223.243 Da
  • Monoisotopic mass223.100861 Da
  • ChemSpider ID23078411

More details:

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

1260640-16-1 [RN]
1-Isoquinolinecarboxylic acid, 6-fluoro-1,2,3,4-tetrahydro-, ethyl ester [ACD/Index Name]
6-Fluoro-1,2,3,4-tétrahydro-1-isoquinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-fluoro-1,2,3,4-tetrahydro-1-isoquinolinecarboxylate [ACD/IUPAC Name]
ethyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Ethyl-6-fluor-1,2,3,4-tetrahydro-1-isochinolincarboxylat [German] [ACD/IUPAC Name]
Ethyl-6-fluor-1,2,3,4-tetrahydroisochinolin-1-carboxylat
[1260640-16-1] [RN]
6-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID ETHYL ESTER
ethyl 6-fluoro-1,2,3,4-tetrahydro-isoquinoline-1-carboxylate
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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: 311.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±3.0 kJ/mol
    Flash Point: 142.3±27.9 °C
    Index of Refraction: 1.514
    Molar Refractivity: 57.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): -0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.02
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 5.45
    ACD/KOC (pH 7.4): 89.78
    Polar Surface Area: 38 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 37.5±3.0 dyne/cm
    Molar Volume: 190.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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