ChemSpider 2D Image | 1,8-Bis[3-(trifluoromethyl)-2-pyridinyl]-3,6-dioxa-2,7-diazaoctane-4,5-dione | C16H12F6N4O4

1,8-Bis[3-(trifluoromethyl)-2-pyridinyl]-3,6-dioxa-2,7-diazaoctane-4,5-dione

  • Molecular FormulaC16H12F6N4O4
  • Average mass438.281 Da
  • Monoisotopic mass438.076263 Da
  • ChemSpider ID29361197

More details:

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

1,8-Bis[3-(trifluormethyl)-2-pyridinyl]-3,6-dioxa-2,7-diazaoctan-4,5-dion [German] [ACD/IUPAC Name]
1,8-Bis[3-(trifluoromethyl)-2-pyridinyl]-3,6-dioxa-2,7-diazaoctane-4,5-dione [ACD/IUPAC Name]
1,8-Bis[3-(trifluorométhyl)-2-pyridinyl]-3,6-dioxa-2,7-diazaoctane-4,5-dione [French] [ACD/IUPAC Name]
3,6-Dioxa-2,7-diazaoctane-4,5-dione, 1,8-bis[3-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
1980085-66-2 [RN]
Bis({[3-(trifluoromethyl)pyridin-2-yl]methyl}amino) oxalate
MFCD12913794 [MDL number]
MFCD26408176 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.0±31.5 °C
Index of Refraction: 1.500
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.33
ACD/KOC (pH 5.5): 289.95
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.34
ACD/KOC (pH 7.4): 290.02
Polar Surface Area: 102 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 294.0±3.0 cm3

Click to predict properties on the Chemicalize site


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