ChemSpider 2D Image | 7-{2-[Difluoro(2,3,4-trifluorophenyl)methoxy]ethyl}-1,3-bis[difluoro(2,3,4-trifluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione | C28H11F15N4O3

7-{2-[Difluoro(2,3,4-trifluorophenyl)methoxy]ethyl}-1,3-bis[difluoro(2,3,4-trifluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC28H11F15N4O3
  • Average mass736.388 Da
  • Monoisotopic mass736.059143 Da
  • ChemSpider ID115756

More details:

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

1H-Purine-2,6-dione, 7-[2-[difluoro(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro(2,3,4-trifluorophenyl)methyl]-3,7-dihydro- [ACD/Index Name]
7-[2-[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methoxy]ethyl]-1,3-bis[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methyl]purine-2,6-dione
7-{2-[Difluor(2,3,4-trifluorphenyl)methoxy]ethyl}-1,3-bis[difluor(2,3,4-trifluorphenyl)methyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-{2-[Difluoro(2,3,4-trifluorophenyl)methoxy]ethyl}-1,3-bis[difluoro(2,3,4-trifluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-{2-[Difluoro(2,3,4-trifluorophényl)méthoxy]éthyl}-1,3-bis[difluoro(2,3,4-trifluorophényl)méthyl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
(Pfbz)3-N7-hex
126565-13-7 [RN]
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((pentafluorophenyl)methoxy)ethyl-1,3-bis(pentafluorophenyl)methyl)-
3,7-Dihydro-7-(2-((pentafluorophenyl)methoxy)ethyl-1,3-bis(pentafluorophenyl)methyl)-1H-purine-2,6-dione
N1,N3-Bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 674.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.6±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 7.98
ACD/BCF (pH 5.5): 687700.75
ACD/KOC (pH 5.5): 524784.19
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 687700.75
ACD/KOC (pH 7.4): 524784.19
Polar Surface Area: 68 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 34.8±7.0 dyne/cm
Molar Volume: 437.0±7.0 cm3

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