2,3,5,6-Tetrafluorophenyl 5-Iodo-3,3-Dimethyl-4-Pentenoate

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Properties Simple | Detailed

Formula C13H11F4IO2
IUPAC Name (2,3,5,6-tetrafluorophenyl) (e)-5-iodo-3,3-dimethyl-pent-4-enoate
Molecular Mass 402.123 g·mol−1
Heat of Formation -944.5 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 342.11 Å 3
Surface Area 286.46 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3,5,6-tetrafluorophenyl) (e)-5-iodo-3,3-dimethyl-pent-4-enoate
  • (2,3,5,6-tetrafluorophenyl) (e)-5-iodo-3,3-dimethylpent-4-enoate
  • (2,3,5,6-tetrafluorophenyl) 5-iodo-3,3-dimethyl-pent-4-enoate
  • (e)-5-iodo-3,3-dimethyl-pent-4-enoic acid (2,3,5,6-tetrafluorophenyl) ester
  • (e)-5-iodo-3,3-dimethylpent-4-enoic acid (2,3,5,6-tetrafluorophenyl) ester
  • 2,3,5,6-tetrafluorophenyl-3,3-dimethyl-5-iodo-4-pentenoate
  • 2,3,5,6-tfdip
  • 4-pentenoic acid, 5-iodo-3,3-dimethyl-, 2,3,5,6-tetrafluorophenyl ester
  • 5-iodo-3,3-dimethyl-pent-4-enoic acid (2,3,5,6-tetrafluorophenyl) ester
  • 5-iodo-3,3-dimethylpent-4-enoic acid (2,3,5,6-tetrafluorophenyl) ester
CAS Number(s)
  • 126296-30-8
InChIKey DTBLTGULTCNTLR-ONEGZZNKSA-N
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