Chemical Component Summary

Name4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
Synonyms2-THENOYLTRIFLUOROACETONE
Identifiers4,4,4-trifluoro-1-thiophen-2-yl-butane-1,3-dione
FormulaC8 H5 F3 O2 S
Molecular Weight222.184
TypeNON-POLYMER
Isomeric SMILESc1cc(sc1)C(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChIKeyTXBBUSUXYMIVOS-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count5

Drug Info: DrugBank

DrugBank IDDB04795 
NameThenoyltrifluoroacetone
Groups experimental
DescriptionThenoyltrifluoroacetone is a chelating agent and inhibitor of cellular respiration.
Synonyms
  • 2-Thenoyltrifluoroacetone
  • Thenoyltrifluoroacetone
  • Perfluoroacetyl(2-thenoyl)methane
  • 1-Thenoyl-3,3,3-trifluoroacetone
  • alpha-Thenoyltrifluoroacetone
Categories
  • Butanones
  • Chelating Agents
  • Compounds used in a research, industrial, or household setting
  • Ketones
  • Sequestering Agents
CAS number326-91-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Liver carboxylesterase 1MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIF...unknown
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrialMSGVRGLSRLLSARRLALAKAWPTVLQTGTRGFHFTVDGNKRASAKVSDS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5601
ChEMBL CHEMBL1236433