ChemSpider 2D Image | Methyl 4,4,4-trifluoro-2-({[(1R,6R)-6-methyl-3-cyclohexen-1-yl]carbonyl}amino)butanoate | C13H18F3NO3

Methyl 4,4,4-trifluoro-2-({[(1R,6R)-6-methyl-3-cyclohexen-1-yl]carbonyl}amino)butanoate

  • Molecular FormulaC13H18F3NO3
  • Average mass293.282 Da
  • Monoisotopic mass293.123871 Da
  • ChemSpider ID60524769

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4,4,4-Trifluoro-2-({[(1R,6R)-6-méthyl-3-cyclohexén-1-yl]carbonyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4,4,4-trifluoro-2-[[[(1R,6R)-6-methyl-3-cyclohexen-1-yl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4,4,4-trifluoro-2-({[(1R,6R)-6-methyl-3-cyclohexen-1-yl]carbonyl}amino)butanoate [ACD/IUPAC Name]
Methyl-4,4,4-trifluor-2-({[(1R,6R)-6-methyl-3-cyclohexen-1-yl]carbonyl}amino)butanoat [German] [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: 349.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.3±27.9 °C
Index of Refraction: 1.445
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.71
ACD/KOC (pH 5.5): 634.33
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.71
ACD/KOC (pH 7.4): 634.33
Polar Surface Area: 55 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 246.1±3.0 cm3

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