ChemSpider 2D Image | 2-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid | C21H17F6NO4

2-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID98428605

More details:

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

2-({[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}methyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid [ACD/IUPAC Name]
4,4,4-Trifluor-2-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-3-(trifluormethyl)butansäure [German] [ACD/IUPAC Name]
Acide 2-({[(9H-fluorén-9-ylméthoxy)carbonyl]amino}méthyl)-4,4,4-trifluoro-3-(trifluorométhyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-4,4,4-trifluoro-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.9±30.1 °C
Index of Refraction: 1.518
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 52.89
ACD/KOC (pH 5.5): 123.44
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 7.08
Polar Surface Area: 76 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 325.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement