ChemSpider 2D Image | Methyl 4-{[3,5-bis(trifluoromethyl)benzoyl](cyclohexyl)amino}benzoate | C23H21F6NO3

Methyl 4-{[3,5-bis(trifluoromethyl)benzoyl](cyclohexyl)amino}benzoate

  • Molecular FormulaC23H21F6NO3
  • Average mass473.408 Da
  • Monoisotopic mass473.142578 Da
  • ChemSpider ID112385251

More details:

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

4-{[3,5-Bis(trifluorométhyl)benzoyl](cyclohexyl)amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3,5-bis(trifluoromethyl)benzoyl]cyclohexylamino]-, methyl ester [ACD/Index Name]
Methyl 4-{[3,5-bis(trifluoromethyl)benzoyl](cyclohexyl)amino}benzoate [ACD/IUPAC Name]
Methyl-4-{[3,5-bis(trifluormethyl)benzoyl](cyclohexyl)amino}benzoat [German] [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: 505.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.6±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41295.88
ACD/KOC (pH 5.5): 70088.90
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41295.88
ACD/KOC (pH 7.4): 70088.90
Polar Surface Area: 47 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 354.3±3.0 cm3

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