ChemSpider 2D Image | trans-4-[Allyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexanecarboxylic acid | C13H18F3NO3

trans-4-[Allyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexanecarboxylic acid

  • Molecular FormulaC13H18F3NO3
  • Average mass293.282 Da
  • Monoisotopic mass293.123871 Da
  • ChemSpider ID54632732

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-[allyl(2,2,2-trifluoroéthyl)carbamoyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[2-propen-1-yl(2,2,2-trifluoroethyl)amino]carbonyl]-, trans- [ACD/Index Name]
trans-4-[Allyl(2,2,2-trifluorethyl)carbamoyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[Allyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 393.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 191.6±27.9 °C
Index of Refraction: 1.469
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 49.44
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 234.7±3.0 cm3

Click to predict properties on the Chemicalize site


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