ChemSpider 2D Image | 4,4,4-Trifluoro-N-[(1S,3aS,6aS)-octahydro-1-pentalenyl]butanamide | C12H18F3NO

4,4,4-Trifluoro-N-[(1S,3aS,6aS)-octahydro-1-pentalenyl]butanamide

  • Molecular FormulaC12H18F3NO
  • Average mass249.273 Da
  • Monoisotopic mass249.134048 Da
  • ChemSpider ID29546158

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4,4,4-Trifluor-N-[(1S,3aS,6aS)-octahydro-1-pentalenyl]butanamid [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-N-[(1S,3aS,6aS)-octahydro-1-pentalenyl]butanamide [ACD/IUPAC Name]
4,4,4-Trifluoro-N-[(1S,3aS,6aS)-octahydro-1-pentalényl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4,4,4-trifluoro-N-[(1S,3aS,6aS)-octahydro-1-pentalenyl]- [ACD/Index Name]
4,4,4-trifluoro-N-[(1S*,3aS*,6aS*)-octahydropentalen-1-yl]butanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 341.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 160.5±27.9 °C
Index of Refraction: 1.456
Molar Refractivity: 57.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.32
ACD/KOC (pH 5.5): 1161.27
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.32
ACD/KOC (pH 7.4): 1161.28
Polar Surface Area: 29 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 31.7±5.0 dyne/cm
Molar Volume: 211.8±5.0 cm3

Click to predict properties on the Chemicalize site


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