ChemSpider 2D Image | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4,4,4-trifluoro-3-(trifluoromethyl)isovaline | C21H17F6NO4

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4,4,4-trifluoro-3-(trifluoromethyl)isovaline

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID98569272

More details:

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

4,4,4-Trifluor-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluormethyl)isovalin [German] [ACD/IUPAC Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4,4,4-trifluoro-3-(trifluoromethyl)isovaline [ACD/IUPAC Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-4,4,4-trifluoro-3-(trifluorométhyl)isovaline [French] [ACD/IUPAC Name]
Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4,4,4,4',4',4'-hexafluoro-2-methyl- [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: 522.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 87.91
ACD/KOC (pH 5.5): 141.96
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 9.74
ACD/KOC (pH 7.4): 15.73
Polar Surface Area: 76 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 325.1±3.0 cm3

Click to predict properties on the Chemicalize site


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