A1BYP
Summary
| Name: | difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid |
| Formula: | C10 H F19 O5 |
| Formal charge: | 0 |
| Formula weight: | 562.082 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2,2-bis(fluoranyl)-2-[1,1,2,2-tetrakis(fluoranyl)-2-[1,1,2,2-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butoxy]ethoxy]ethoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(=O)O)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C10HF19O5/c11-2(12,1(30)31)32-7(22,23)8(24,25)34-10(28,29)9(26,27)33-6(20,21)4(15,16)3(13,14)5(17,18)19/h(H,30,31) |
| InChIKey | InChI | 1.06 | GDQLSTSWOFAQNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
