A1ABO
Summary
| Name: | (5S)-5-(trifluoromethyl)-1,4-diazepane |
| Formula: | C6 H11 F3 N2 |
| Formal charge: | 0 |
| Formula weight: | 168.16 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-5-(trifluoromethyl)-1,4-diazepane |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-5-(trifluoromethyl)-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)C1CCNCCN1 |
| InChI | InChI | 1.06 | InChI=1S/C6H11F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h5,10-11H,1-4H2/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | FEWVFBNFNPVYAK-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)[C@@H]1CCNCCN1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)[CH]1CCNCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CNCCN[C@@H]1C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CNCCNC1C(F)(F)F |
