1,1,1-Trifluoro-3-(Octylthio)Acetone

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Properties Simple | Detailed

Formula C11H19F3OS
IUPAC Name 1,1,1-trifluoro-3-octylsulfanyl-propan-2-one
Molecular Mass 256.328 g·mol−1
Heat of Formation -958.9 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 312.29 Å 3
Surface Area 297.75 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1,1-trifluoro-3-(octylsulfanyl)acetone
  • 1,1,1-trifluoro-3-(octylthio)propan-2-one
  • 1,1,1-trifluoro-3-octylsulfanylpropan-2-one
  • 2-propanone, 1,1,1-trifluoro-3-(octylthio)-
  • 3-octylthio-1,1,1-trifluoro-2-propanone
  • 3-octylthio-1,1,1-trifluoropropan-2-one
  • 3-otfp
CAS Number(s)
  • 89820-00-8
InChIKey WMQHRXUKAYSPPK-UHFFFAOYSA-N
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