Thenoyltrifluoroacetone

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Properties Simple | Detailed

Formula C8H5F3O2S
IUPAC Name 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione
Molecular Mass 222.184 g·mol−1
Heat of Formation -813.7 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 221.79 Å 3
Surface Area 214.07 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.-thenoyltrifluoroacetone
  • 1,1,1-trifluoro-3-(2-thenoyl)acetone
  • 1,3-butanedione, 4,4,4-trifluoro-1-(2-thienyl)-
  • 1-thenoyl-3,3,3-trifluoroacetone
  • 2-thenoyltrifluoroacetone
  • 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione
  • 4,4,4-trifluoro-1-thien-2-ylbutane-1,3-dione
  • 4,4,4-trifluoro-1-thiophen-2-yl-butane-1,3-dione
  • 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
  • alpha-thenoyltrifluoroacetone
  • aronis021027
  • hsci1_000376
  • perfluoroacetyl(2-thenoyl)methane
  • tos-bb-0669
  • tta
  • ttb
CAS Number(s)
  • 326-91-0
InChIKey TXBBUSUXYMIVOS-UHFFFAOYSA-N
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