A1DIW
Summary
| Name: | Perfluoro hexanoic acid |
| Formula: | C6 H F11 O2 |
| Formal charge: | 0 |
| Formula weight: | 314.053 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | undecafluorohexanoic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19) |
| InChIKey | InChI | 1.06 | PXUULQAPEKKVAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
