3-(3-{4-[4-Fluoro-2-(2,2,2-Trifluoroethoxy)Phenyl]-1-Piperazinyl}Propyl)-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C20H24F4N4O3
IUPAC Name 3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 444.423 g·mol−1
Heat of Formation -1225.2 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 496.71 Å 3
Surface Area 416.56 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propyl]-5-methyl-1h-pyrimidine-2,4-dione
  • 3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1h-pyrimidine-2,4-dione
  • 3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-uracil
InChIKey WEZFJPKJUIGDPS-UHFFFAOYSA-N
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