ChemSpider 2D Image | 2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-[3-(trifluoromethyl)phenoxy]benzoic acid | C25H28F3NO4

2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-[3-(trifluoromethyl)phenoxy]benzoic acid

  • Molecular FormulaC25H28F3NO4
  • Average mass463.489 Da
  • Monoisotopic mass463.197052 Da
  • ChemSpider ID31132945

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-[3-(trifluormethyl)phenoxy]benzoesäure [German] [ACD/IUPAC Name]
2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-[3-(trifluoromethyl)phenoxy]benzoic acid [ACD/IUPAC Name]
Acide 2-{isopropyl[(trans-4-méthylcyclohexyl)carbonyl]amino}-5-[3-(trifluorométhyl)phénoxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-5-[3-(trifluoromethyl)phenoxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.1±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 66.13
ACD/KOC (pH 5.5): 186.26
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 5.70
ACD/KOC (pH 7.4): 16.05
Polar Surface Area: 67 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 373.6±3.0 cm3

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