ChemSpider 2D Image | N-(2,2,2-Trifluoroethyl)-9-{4-[4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1-piperidinyl](2,2,3,3-~2~H_4_)butyl}-9H-fluorene-9-carboxamide | C39H33D4F6N3O2

N-(2,2,2-Trifluoroethyl)-9-{4-[4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1-piperidinyl](2,2,3,3-2H4)butyl}-9H-fluorene-9-carboxamide

  • Molecular FormulaC39H33D4F6N3O2
  • Average mass697.745 Da
  • Monoisotopic mass697.304077 Da
  • ChemSpider ID57558859

  • Non-standard isotope - Non-standard isotope

More details:

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

9H-Fluorene-9-carboxamide, N-(2,2,2-trifluoroethyl)-9-[4-[4-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]-1-piperidinyl]butyl-2,2,3,3-d4]- [ACD/Index Name]
N-(2,2,2-Trifluorethyl)-9-{4-[4-({[4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)-1-piperidinyl](2,2,3,3-2H4)butyl}-9H-fluoren-9-carboxamid [German] [ACD/IUPAC Name]
N-(2,2,2-Trifluoroethyl)-9-{4-[4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1-piperidinyl](2,2,3,3-2H4)butyl}-9H-fluorene-9-carboxamide [ACD/IUPAC Name]
N-(2,2,2-Trifluoroéthyl)-9-{4-[4-({[4'-(trifluorométhyl)-2-biphénylyl]carbonyl}amino)-1-pipéridinyl](2,2,3,3-2H4)butyl}-9H-fluorène-9-carboxamide [French] [ACD/IUPAC Name]
857296-42-5 [RN]
N-(2,2,2-Trifluoroethyl)-9-[4-(4-{[4'-(trifluoromethyl)[1,1'-biphenyl]-2-carbonyl]amino}piperidin-1-yl)(2,2,3,3-2H4)butyl]-9H-fluorene-9-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.4±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 178.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 296.67
ACD/KOC (pH 5.5): 297.86
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 7065.37
ACD/KOC (pH 7.4): 7093.64
Polar Surface Area: 61 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 517.3±5.0 cm3

Click to predict properties on the Chemicalize site


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