ChemSpider 2D Image | 4-{[trans-4-({[4-(Trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid | C21H21F3N2O5

4-{[trans-4-({[4-(Trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid

  • Molecular FormulaC21H21F3N2O5
  • Average mass438.397 Da
  • Monoisotopic mass438.140259 Da
  • ChemSpider ID30812351

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[trans-4-({[4-(Trifluormethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
4-{[trans-4-({[4-(Trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid [ACD/IUPAC Name]
948304-40-3 [RN]
Acide 4-{[trans-4-({[4-(trifluorométhoxy)phényl]carbamoyl}amino)cyclohexyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[trans-4-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]cyclohexyl]oxy]- [ACD/Index Name]
4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzoic acid
t-TUCB
UC-1728

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 102.78
ACD/KOC (pH 5.5): 471.68
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 10.46
Polar Surface Area: 97 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 312.5±5.0 cm3

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