919005-14-4
Product Name:
2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid
Formula:
C7H2F12O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 139.58 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
|---|---|
| Chemical Classes | PFAS |
COMPUTED DESCRIPTORS
| Molecular Weight | 378.07 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 7 |
| Exact Mass | 377.9761465 g/mol |
| Monoisotopic Mass | 377.9761465 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 443 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |