TFQ
Summary
| Name: | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE |
| Formula: | C11 H12 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 247.214 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(2,2,2-trifluoroethyl)-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[4-(2,2,2-trifluoroethyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)Cc1ccc(cc1)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(CC(F)(F)F)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(CC(F)(F)F)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)CC(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | VXIZYDKGLBPCAQ-VIFPVBQESA-N |
