9NL
Summary
| Name: | (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid |
| Formula: | C9 H8 F2 O3 |
| Formal charge: | 0 |
| Formula weight: | 202.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-3,3-bis(fluoranyl)-2-oxidanyl-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(C(c1ccccc1)(F)F)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | JCELIJYTLDZTOR-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C(O)=O)C(F)(F)c1ccccc1 |
| SMILES | CACTVS | 3.385 | O[CH](C(O)=O)C(F)(F)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(C(=O)O)O)(F)F |
