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

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

  • Molecular FormulaC25H28F3NO4
  • Average mass463.489 Da
  • Monoisotopic mass463.197052 Da
  • ChemSpider ID30829484

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{[(Trans-4-Methylcyclohexyl)carbonyl](Propan-2-Yl)amino}-5-[2-(Trifluoromethyl)phenoxy]benzoic Acid
2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-[2-(trifluormethyl)phenoxy]benzoesäure [German] [ACD/IUPAC Name]
2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid [ACD/IUPAC Name]
Acide 2-{isopropyl[(trans-4-méthylcyclohexyl)carbonyl]amino}-5-[2-(trifluorométhyl)phénoxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-5-[2-(trifluoromethyl)phenoxy]- [ACD/Index Name]
1M9

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.3±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: 6.21
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 152.14
ACD/KOC (pH 5.5): 335.24
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 13.45
ACD/KOC (pH 7.4): 29.64
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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