JKZ
Summary
| Name: | 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one |
| Formula: | C9 H8 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 203.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one |
| OpenEye OEToolkits | 1.7.0 | 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)C=1C2=C(NC(=O)C=1)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)C1=CC(=O)NC2=C1CCC2 |
| SMILES | CACTVS | 3.370 | FC(F)(F)C1=CC(=O)NC2=C1CCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1CC2=C(C1)NC(=O)C=C2C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC2=C(C1)NC(=O)C=C2C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C9H8F3NO/c10-9(11,12)6-4-8(14)13-7-3-1-2-5(6)7/h4H,1-3H2,(H,13,14) |
| InChIKey | InChI | 1.03 | GSJGKNLMGQIWJH-UHFFFAOYSA-N |
