UQB
(1R)-2-amino-1-(4-fluorophenyl)ethanol
| Created: | 2021-03-06 |
| Last modified: | 2022-03-23 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 1 |
| Bond Count | 21 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
|---|---|
| Name | (1R)-2-amino-1-(4-fluorophenyl)ethanol |
| Synonyms | (1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol |
| Systematic Name (OpenEye OEToolkits) | (1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol |
| Formula | C8 H10 F N O |
| Molecular Weight | 155.17 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | NC[CH](O)c1ccc(F)cc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(CN)O)F |
| Canonical SMILES | CACTVS | 3.385 | NC[C@H](O)c1ccc(F)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H](CN)O)F |
| InChI | InChI | 1.03 | InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | LPKXWVNNGWDLMT-QMMMGPOBSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 38989031 |
