2,2'-(5-Tert-Butyl-2-Iodo-1,3-Phenylene)Bis(1,1,1,3,3,3-Hexafluoropropan-2-Ol)

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Formula C16H13F12IO2
IUPAC Name 2-[5-tert-butyl-2-iodo-3-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
Molecular Mass 592.159 g·mol−1
Heat of Formation -2853.0 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 470.76 Å 3
Surface Area 352.72 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzenedimethanol, 5-(1,1-dimethylethyl)-2-iodo-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-
  • 2-[5-tert-butyl-2-iodo-3-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
  • 2-[5-tert-butyl-3-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)-2-iodo-phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
  • 2-[5-tert-butyl-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-iodophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
  • 4-tert-butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene
  • tfm-tfe-ib
CAS Number(s)
  • 101697-28-3
InChIKey OQSMDYOVGMLBFJ-UHFFFAOYSA-N
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