Ethyl Trifluoroacetoacetate

Molecule SVG Image

Properties Simple | Detailed

Formula C6H7F3O3
IUPAC Name ethyl 4,4,4-trifluoro-3-oxo-butanoate
Molecular Mass 184.113 g·mol−1
Heat of Formation -1195.2 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 191.76 Å 3
Surface Area 191.76 Å 2
HOMO Energy -11.32 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4,4,4-trifluoro-3-keto-butyric acid ethyl ester
  • 4,4,4-trifluoro-3-oxobutanoic acid ethyl ester
  • acetoacetic acid, 4,4,4-trifluoro-, ethyl ester
  • butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester
  • ethyl (trifluoroacetyl)acetate
  • ethyl 3-oxo-4,4,4-trifluorobutyrate
  • ethyl 4,4,4-trifluoro-3-oxobutanoate
  • ethyl 4,4,4-trifluoroacetoacetate
CAS Number(s)
  • 372-31-6
InChIKey OCJKUQIPRNZDTK-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F