TTF

4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE

Created:	2005-05-18
Last modified:	2021-03-01

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2 entries where TTF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

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Chemical Component Summary
Name	4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
Synonyms	2-THENOYLTRIFLUOROACETONE
Systematic Name (OpenEye OEToolkits)	4,4,4-trifluoro-1-thiophen-2-yl-butane-1,3-dione
Formula	C₈ H₅ F₃ O₂ S
Molecular Weight	222.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1sccc1)CC(=O)C(F)(F)F
SMILES	CACTVS	3.341	FC(F)(F)C(=O)CC(=O)c1sccc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(sc1)C(=O)CC(=O)C(F)(F)F
Canonical SMILES	CACTVS	3.341	FC(F)(F)C(=O)CC(=O)c1sccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(sc1)C(=O)CC(=O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChIKey	InChI	1.03	TXBBUSUXYMIVOS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04795
Name	Thenoyltrifluoroacetone
Groups	experimental
Description	Thenoyltrifluoroacetone is a chelating agent and inhibitor of cellular respiration.
Synonyms	Perfluoroacetyl(2-thenoyl)methane 1-Thenoyl-3,3,3-trifluoroacetone alpha-Thenoyltrifluoroacetone Thenoyltrifluoroacetone 1,1,1-Trifluoro-3-(2-thenoyl)acetone 2-Thenoyltrifluoroacetone
Categories	Butanones Chelating Agents Compounds used in a research, industrial, or household setting Ketones Sequestering Agents Sulfur Compounds Thiophenes
CAS number	326-91-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Liver carboxylesterase 1	MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIF...	unknown
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	MSGVRGLSRLLSARRLALAKAWPTVLQTGTRGFHFTVDGNKRASAKVSDS...	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