EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12F6N2O2 |
| Net Charge | 0 |
| Average Mass | 330.228 |
| Monoisotopic Mass | 330.08030 |
| SMILES | CCC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F |
| InChI | InChI=1S/C12H12F6N2O2/c1-2-10(11(13,14)15,12(16,17)18)20-9(22)19-7-3-5-8(21)6-4-7/h3-6,21H,2H2,1H3,(H2,19,20,22) |
| InChIKey | SIMJYJFBVOCOOU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea (CHEBI:121536) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32979 | LINCS |