TTF
Summary
| Name: | 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE |
| Synonyms: | 2-THENOYLTRIFLUOROACETONE |
| Formula: | C8 H5 F3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 222.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
| OpenEye OEToolkits | 1.5.0 | 4,4,4-trifluoro-1-thiophen-2-yl-butane-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1sccc1)CC(=O)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.341 | FC(F)(F)C(=O)CC(=O)c1sccc1 |
| SMILES | CACTVS | 3.341 | FC(F)(F)C(=O)CC(=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)C(=O)CC(=O)C(F)(F)F |
| 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 |
