WD1
Summary
| Name: | 2-({[(1S,3S)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol |
| Formula: | C9 H18 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-({[(1S,3S)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol |
| OpenEye OEToolkits | 2.0.7 | 2-[[(1~{S},3~{S})-3-fluoranylcyclohexyl]methylamino]ethane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(O)CNCC1CC(CCC1)F |
| InChI | InChI | 1.03 | InChI=1S/C9H18FNO2/c10-8-3-1-2-7(4-8)5-11-6-9(12)13/h7-9,11-13H,1-6H2/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | AGMOOCMFAMSOEN-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(O)CNC[C@H]1CCC[C@H](F)C1 |
| SMILES | CACTVS | 3.385 | OC(O)CNC[CH]1CCC[CH](F)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H](C[C@H](C1)F)CNCC(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(CC(C1)F)CNCC(O)O |
