ChemSpider 2D Image | 3,3,3-Trifluoro-1-(octahydro-2(1H)-isoquinolinyl)-1-propanone | C12H18F3NO

3,3,3-Trifluoro-1-(octahydro-2(1H)-isoquinolinyl)-1-propanone

  • Molecular FormulaC12H18F3NO
  • Average mass249.273 Da
  • Monoisotopic mass249.134048 Da
  • ChemSpider ID26203939

More details:

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

1-Propanone, 3,3,3-trifluoro-1-(octahydro-2(1H)-isoquinolinyl)- [ACD/Index Name]
3,3,3-Trifluor-1-(octahydro-2(1H)-isochinolinyl)-1-propanon [German] [ACD/IUPAC Name]
3,3,3-Trifluoro-1-(octahydro-2(1H)-isoquinoléinyl)-1-propanone [French] [ACD/IUPAC Name]
3,3,3-Trifluoro-1-(octahydro-2(1H)-isoquinolinyl)-1-propanone [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 309.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 141.1±27.9 °C
Index of Refraction: 1.450
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 267.29
ACD/KOC (pH 5.5): 1900.35
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.29
ACD/KOC (pH 7.4): 1900.35
Polar Surface Area: 20 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 213.6±3.0 cm3

Click to predict properties on the Chemicalize site


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