C23H14F32N2O8 — CID 59874135
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 59874135) has the molecular formula C23H14F32N2O8 and a molecular weight of 1054.31 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethyl]propanamide.
| Compound Name | 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethyl]propanamide |
|---|---|
| PubChem CID | 59874135 |
| Molecular Formula | C23H14F32N2O8 |
| Molecular Weight | 1054.31 g/mol |
| Exact Mass | 1054.02 |
| IUPAC Name | 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethyl]propanamide |
| SMILES | O=C(NCCOCCOCCNC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| InChI | InChI=1S/C23H14F32N2O8/c24-9(15(33,34)35,7(58)56-1-3-60-5-6-61-4-2-57-8(59)10(25,26)27)62-21(50,51)12(30,17(39,40)41)64-23(54,55)14(32,19(45,46)47)65-22(52,53)13(31,18(42,43)44)63-20(48,49)11(28,29)16(36,37)38/h1-6H2,(H,56,58)(H,57,59) |
| InChIKey | KHQSZRDHDMERMV-UHFFFAOYSA-N |
| XLogP | 8.36 |
| TPSA | 113.58 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 65 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1054.31 |
| LogP ≤ 5 | 8.36 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'} |
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