3-[(4-Butylphenyl)Sulfanyl]-1,1,1-Trifluoroacetone

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Properties Simple | Detailed

Formula C13H15F3OS
IUPAC Name 3-(4-butylphenyl)sulfanyl-1,1,1-trifluoro-propan-2-one
Molecular Mass 276.318 g·mol−1
Heat of Formation -783.7 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 318.97 Å 3
Surface Area 301.2 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propanone, 3-((4-butylphenyl)thio)-1,1,1-trifluoro-
  • 3-(4'-butylphenylthio)-1,1,1-trifluoropropan-2-one
  • 3-(4-butylphenyl)sulfanyl-1,1,1-trifluoropropan-2-one
  • 3-[(4-butylphenyl)thio]-1,1,1-trifluoro-acetone
  • 3-[(4-butylphenyl)thio]-1,1,1-trifluoropropan-2-one
  • bptfp
CAS Number(s)
  • 99541-30-7
InChIKey MVODFEYTKNQFJM-UHFFFAOYSA-N
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