ChemSpider 2D Image | 4-{[(Cyclohexylcarbonyl)amino]methyl}phenyl 3,5-bis(trifluoromethyl)benzoate | C23H21F6NO3

4-{[(Cyclohexylcarbonyl)amino]methyl}phenyl 3,5-bis(trifluoromethyl)benzoate

  • Molecular FormulaC23H21F6NO3
  • Average mass473.408 Da
  • Monoisotopic mass473.142578 Da
  • ChemSpider ID66742949

More details:

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

3,5-Bis(trifluorométhyl)benzoate de 4-{[(cyclohexylcarbonyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
4-{[(Cyclohexylcarbonyl)amino]methyl}phenyl 3,5-bis(trifluoromethyl)benzoate [ACD/IUPAC Name]
4-{[(Cyclohexylcarbonyl)amino]methyl}phenyl-3,5-bis(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(trifluoromethyl)-, 4-[[(cyclohexylcarbonyl)amino]methyl]phenyl ester [ACD/Index 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: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25542.86
ACD/KOC (pH 5.5): 49694.53
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25542.88
ACD/KOC (pH 7.4): 49694.59
Polar Surface Area: 55 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

Click to predict properties on the Chemicalize site


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