1-[2-(4-Azido-3-Iodophenyl)Ethyl]-4-[3-(Trifluoromethyl)Phenyl]Piperazine

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Properties Simple | Detailed

Formula C19H20F3IN5
IUPAC Name 1-[2-(4-azido-3-iodo-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Molecular Mass 502.295 g·mol−1
Heat of Formation -49.5 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 471.52 Å 3
Surface Area 416.22 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-(3-iodo-4-(2.lambda.~5~-1,2-triazadienyl)phenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazine
  • 1-(2-(3-iodo-4-azidophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazine
  • azido-ipapp
  • piperazine, 1-(2-(4-azido-3-iodophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)-
CAS Number(s)
  • 118249-08-4
InChIKey DGGQFCKCVDYJDO-UHFFFAOYSA-N
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