B2W
Summary
| Name: | 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine |
| Formula: | C6 H7 F3 N2 |
| Formal charge: | 0 |
| Formula weight: | 164.128 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H7F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h1-2,10H,3-4H2 |
| InChIKey | InChI | 1.03 | DQLAMAHCMYJIBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C1=NCCNC=C1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)C1=NCCNC=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CN=C(C=CN1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CN=C(C=CN1)C(F)(F)F |
