1-(4-Fluorophenyl)-4-[4-(5-Fluoro-2-Pyrimidinyl)-1-Piperazinyl]-1-Butanone

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Properties Simple | Detailed

Formula C18H20F2N4O
IUPAC Name 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one
Molecular Mass 346.374 g·mol−1
Heat of Formation -253.9 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 406.25 Å 3
Surface Area 360.42 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)butan-1-one
  • 1-(4-fluorophenyl)-4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]butan-1-one
  • 1-butanone, 1-(4-fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)-
  • ffppb
CAS Number(s)
  • 133982-66-8
InChIKey SFCGNFIBDYIEJN-UHFFFAOYSA-N
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