V3R
Summary
| Name: | (2S)-4-(3,4-difluorophenyl)butan-2-amine |
| Formula: | C10 H13 F2 N |
| Formal charge: | 0 |
| Formula weight: | 185.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-4-(3,4-difluorophenyl)butan-2-amine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-[3,4-bis(fluoranyl)phenyl]butan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(CCC(C)N)cc1F |
| InChI | InChI | 1.06 | InChI=1S/C10H13F2N/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | TVJUZDQYBVCQIX-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)CCc1ccc(F)c(F)c1 |
| SMILES | CACTVS | 3.385 | C[CH](N)CCc1ccc(F)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCc1ccc(c(c1)F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCc1ccc(c(c1)F)F)N |
