YPQ
Summary
| Name: | 4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one |
| Formula: | C12 H14 F6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 332.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2 |
| InChIKey | InChI | 1.06 | ZEAVKHMQTZBUND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC2(CC1)CC(=NO2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC2(CC1)CC(=NO2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F |
