LWF
Summary
| Name: | (1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid |
| Formula: | C7 H10 F2 O2 |
| Formal charge: | 0 |
| Formula weight: | 164.15 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11)/t5-/m1/s1 |
| InChIKey | InChI | 1.06 | GSVZSOJKYXYXAX-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCC(F)(F)C1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCC(F)(F)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](CC(C1)(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(CC(C1)(F)F)C(=O)O |
