A1CDX
Summary
| Name: | 2-[(1S)-2,2-difluorocyclopentyl]ethan-1-amine |
| Formula: | C7 H13 F2 N |
| Formal charge: | 0 |
| Formula weight: | 149.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[(1S)-2,2-difluorocyclopentyl]ethan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(1~{S})-2,2-bis(fluoranyl)cyclopentyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC1(F)CCCC1CCN |
| InChI | InChI | 1.06 | InChI=1S/C7H13F2N/c8-7(9)4-1-2-6(7)3-5-10/h6H,1-5,10H2/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | OUORFBWHYHZQIN-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC[C@@H]1CCCC1(F)F |
| SMILES | CACTVS | 3.385 | NCC[CH]1CCCC1(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@H](C(C1)(F)F)CCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(C(C1)(F)F)CCN |
