ChemSpider 2D Image | (7R,8aS)-7-Isopropyl-8a-(trifluoromethyl)hexahydro-5(1H)-indolizinone | C12H18F3NO

(7R,8aS)-7-Isopropyl-8a-(trifluoromethyl)hexahydro-5(1H)-indolizinone

  • Molecular FormulaC12H18F3NO
  • Average mass249.273 Da
  • Monoisotopic mass249.134048 Da
  • ChemSpider ID30651833

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7R,8aS)-7-Isopropyl-8a-(trifluormethyl)hexahydro-5(1H)-indolizinon [German] [ACD/IUPAC Name]
(7R,8aS)-7-Isopropyl-8a-(trifluoromethyl)hexahydro-5(1H)-indolizinone [ACD/IUPAC Name]
(7R,8aS)-7-Isopropyl-8a-(trifluorométhyl)hexahydro-5(1H)-indolizinone [French] [ACD/IUPAC Name]
5(1H)-Indolizinone, hexahydro-7-(1-methylethyl)-8a-(trifluoromethyl)-, (7R,8aS)- [ACD/Index 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: 283.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 125.0±25.9 °C
Index of Refraction: 1.462
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.97
ACD/KOC (pH 5.5): 620.55
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.97
ACD/KOC (pH 7.4): 620.55
Polar Surface Area: 20 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 31.6±5.0 dyne/cm
Molar Volume: 210.4±5.0 cm3

Click to predict properties on the Chemicalize site


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