55I
Summary
| Name: | 4-(trifluoromethyl)-L-phenylalanine |
| Formula: | C10 H10 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 233.187 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(trifluoromethyl)-L-phenylalanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[4-(trifluoromethyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(CC(N)C(=O)O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | CRFFPDBJLGAGQL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)C(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(C(=O)O)N)C(F)(F)F |
