TL;DR: 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxy]methyl}oxirane (CAS 125370-60-7) is a chemical compound with molecular formula C12H8F16O2 and molecular weight 488.0269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)oxirane
Also Known As: 3-(1h,1h,9h-perfluorononyloxy)-1,2-propenoxide, PC4535B, 3-(1H,1H,9H-Hexadecafluorononyloxy)-1,2-epoxypropane, 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl)oxy]methyl}oxirane, 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)oxirane
| Molecular Formula | C12H8F16O2 |
| Molecular Weight | 488.0269 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 488.0269 Da |
| Heavy Atoms | 30 |
| Complexity | 615.0 |
| SMILES | C1C(O1)COCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | AVKVPTNDWAGIMH-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxy]methyl}oxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.8 Ų, 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxy]methyl}oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxy]methyl}oxirane has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxy]methyl}oxirane is 125370-60-7.
The molecular formula of 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxy]methyl}oxirane is C12H8F16O2.
The molecular weight of 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxy]methyl}oxirane is 488.0269 g/mol.
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