ChemSpider 2D Image | 2-(3-{[3-Fluoro-4-(trifluoromethyl)benzyl]carbamoyl}-4-methoxybenzyl)butanoic acid | C21H21F4NO4

2-(3-{[3-Fluoro-4-(trifluoromethyl)benzyl]carbamoyl}-4-methoxybenzyl)butanoic acid

  • Molecular FormulaC21H21F4NO4
  • Average mass427.389 Da
  • Monoisotopic mass427.140686 Da
  • ChemSpider ID23265712

More details:

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

2-(3-{[3-Fluor-4-(trifluormethyl)benzyl]carbamoyl}-4-methoxybenzyl)butansäure [German] [ACD/IUPAC Name]
2-(3-{[3-Fluoro-4-(trifluoromethyl)benzyl]carbamoyl}-4-methoxybenzyl)butanoic acid [ACD/IUPAC Name]
Acide 2-(3-{[3-fluoro-4-(trifluorométhyl)benzyl]carbamoyl}-4-méthoxybenzyl)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-3-[[[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]amino]carbonyl]-4-methoxy- [ACD/Index Name]
2-(3-((3-fluoro-4-(trifluoromethyl)benzyl)carbamoyl)-4-methoxybenzyl)butanoic acid
CHEMBL201803

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.7±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 94.58
ACD/KOC (pH 5.5): 504.74
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 7.97
Polar Surface Area: 76 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

Click to predict properties on the Chemicalize site


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