RQD
Summary
| Name: | methyl 4-fluoro-L-phenylalaninate |
| Formula: | C10 H12 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 197.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 4-fluoro-L-phenylalaninate |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{S})-2-azanyl-3-(4-fluorophenyl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(F)cc1)CC(N)C(OC)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | NCSHKOSBEYDZFY-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](N)Cc1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)Cc1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)[C@H](Cc1ccc(cc1)F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)C(Cc1ccc(cc1)F)N |
