HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[4-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-2-hydroxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
Reaxys ID: 2799776 · 2-FLUOROBUTADIENE-5-(2-(2,4-DI-TERT-AMYLPHENOXY)BUTADIENE) · 2-FLUOROBUTADIENE-5-(2-(2,4-DI-TERT-AMYLPHENOXY)BUTANAMIDE · 2-Fluorobutanamide-5-[2-(2,4-di-t-amylphenoxy)butanamide]phenol · N-[4-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-2-hydroxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanamide · Butanamide, N-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-hydroxyphenyl]-2,2,3,3,4,4,4-heptafluoro-
![N-[4-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-2-hydroxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanamide molecular structure](/img/chemical/3920522.png)
Identifiers & Physical Properties
| CAS No. | 346-10-1 |
|---|---|
| Molecular formula | C30H37F7N2O4 |
| Average molar mass | 622.6 g/mol |
| Monoisotopic mass | 622.2641548 g/mol |
| SMILES | CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1 |
| InChIKey | GJVFPXBDZTWODC-UHFFFAOYSA-N |
| PubChem CID | 3920522 |
| DTXSID | DTXSID60880128 |
Chemical & Physical Properties
| XLogP | 9.4 |
|---|---|
| Topological polar surface area | 87.7 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 12 |
| Heavy atoms | 43 |
| Formal charge | 0 |
| Complexity | 957 |
| PFAS | PFAS -> Other/unspecifiedPFAS -> OECD Category |
| Boiling point | 634.039±55.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.262±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 6.770±0.10(predicted) |
| EPA Substance Registry System | 4'-[2-(2,4-Di-tert-pentylphenoxy)butyramido]perfluoro-2'-hydroxybutyranilide (346-10-1) |