247
Summary
| Name: | (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid |
| Formula: | C9 H9 F2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.169 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(F)(F)C(N)c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](c1ccc(O)cc1)C(F)(F)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](c1ccc(O)cc1)C(F)(F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(C(=O)O)(F)F)N)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | GYPNQHABJBHUCN-SSDOTTSWSA-N |
