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

4-{[3,5-Bis(trifluoromethyl)benzoyl]amino}cyclohexyl 3-methylbenzoate

  • Molecular FormulaC23H21F6NO3
  • Average mass473.408 Da
  • Monoisotopic mass473.142578 Da
  • ChemSpider ID59222445

More details:

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

3-Méthylbenzoate de 4-{[3,5-bis(trifluorométhyl)benzoyl]amino}cyclohexyle [French] [ACD/IUPAC Name]
4-{[3,5-Bis(trifluormethyl)benzoyl]amino}cyclohexyl-3-methylbenzoat [German] [ACD/IUPAC Name]
4-{[3,5-Bis(trifluoromethyl)benzoyl]amino}cyclohexyl 3-methylbenzoate [ACD/IUPAC Name]
Benzoic acid, 3-methyl-, 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclohexyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 482.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.7±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 35878.90
ACD/KOC (pH 5.5): 63377.86
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 35878.86
ACD/KOC (pH 7.4): 63377.79
Polar Surface Area: 55 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

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