ChemSpider 2D Image | 2-[4-Butoxy-3-({[2-fluoro-4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]butanoic acid | C24H27F4NO4

2-[4-Butoxy-3-({[2-fluoro-4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]butanoic acid

  • Molecular FormulaC24H27F4NO4
  • Average mass469.469 Da
  • Monoisotopic mass469.187622 Da
  • ChemSpider ID23284774

More details:

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

2-[4-Butoxy-3-({[2-fluor-4-(trifluormethyl)benzoyl]amino}methyl)benzyl]butansäure [German] [ACD/IUPAC Name]
2-[4-Butoxy-3-({[2-fluoro-4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]butanoic acid [ACD/IUPAC Name]
Acide 2-[4-butoxy-3-({[2-fluoro-4-(trifluorométhyl)benzoyl]amino}méthyl)benzyl]butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-butoxy-α-ethyl-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]- [ACD/Index Name]
2-(4-butoxy-3-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acid
CHEMBL229836

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.3±30.1 °C
Index of Refraction: 1.518
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 561.71
ACD/KOC (pH 5.5): 1881.99
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 8.95
ACD/KOC (pH 7.4): 29.99
Polar Surface Area: 76 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 379.1±3.0 cm3

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