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

Molecule SVG Image

Properties Simple | Detailed

Formula C28H11F15N4O3
IUPAC Name 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione
Molecular Mass 736.388 g·mol−1
Heat of Formation -1099.3 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 654.66 Å 3
Surface Area 547.46 Å 2
Point Group Symmetry C1
Synonyms
  • (pfbz)3-n7-hex
  • 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
  • 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]xanthine
  • n1,n3-bis(pentafluorobenzyl)-n7-(2-(pentafluorobenzyloxy)ethyl)xanthine
CAS Number(s)
  • 126565-13-7
InChIKey BRANLRGEABFFJE-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C N O F