FKS
Summary
| Name: | 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol |
| Formula: | C10 H21 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 258.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol |
| OpenEye OEToolkits | 1.9.2 | 7-(3-azanylpropylamino)-1,1,1-tris(fluoranyl)heptane-2,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N)CCNCCCCCC(C(F)(F)F)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H21F3N2O2/c11-10(12,13)9(16,17)5-2-1-3-7-15-8-4-6-14/h15-17H,1-8,14H2 |
| InChIKey | InChI | 1.03 | IVRAKANOVJJYCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNCCCCCC(O)(O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NCCCNCCCCCC(O)(O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CCC(C(F)(F)F)(O)O)CCNCCCN |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCC(C(F)(F)F)(O)O)CCNCCCN |
