ChemSpider 2D Image | 2-[2-Fluoro-4-methoxy-5-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]butanoic acid | C21H21F4NO4

2-[2-Fluoro-4-methoxy-5-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]butanoic acid

  • Molecular FormulaC21H21F4NO4
  • Average mass427.389 Da
  • Monoisotopic mass427.140686 Da
  • ChemSpider ID24691867

More details:






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

2-[2-Fluor-4-methoxy-5-({[4-(trifluormethyl)benzoyl]amino}methyl)benzyl]butansäure [German] [ACD/IUPAC Name]
2-[2-Fluoro-4-methoxy-5-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]butanoic acid [ACD/IUPAC Name]
Acide 2-[2-fluoro-4-méthoxy-5-({[4-(trifluorométhyl)benzoyl]amino}méthyl)benzyl]butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-2-fluoro-4-methoxy-5-[[[4-(trifluoromethyl)benzoyl]amino]methyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462982/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.6±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: 4.43
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 88.17
ACD/KOC (pH 5.5): 497.70
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 7.92
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

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