TL;DR: Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane (CAS 15453-10-8) is a chemical compound with molecular formula C6F10O and molecular weight 277.97894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3-trifluoro-3-(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane
Also Known As: 1,2-epoxyperfluoro-5-hexene, Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane, 2,2,3-trifluoro-3-(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane, 2,2,3-trifluoro-3-(1,1,2,2,3,4,4-heptafluorobut-3-en-1-yl)oxirane, 2,2,3-Trifluoro-3-(1,1,2,2,3,4,4-heptafluoro-3-butenyl)oxirane
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6F10O |
| Molecular Weight | 277.97894 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.97894 Da |
| Heavy Atoms | 17 |
| Complexity | 369.0 |
| SMILES | C(=C(F)F)(C(C(C1(C(O1)(F)F)F)(F)F)(F)F)F |
| InChIKey | NYAGRQZHLFYEOA-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane is 15453-10-8.
The molecular formula of Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane is C6F10O.
The molecular weight of Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane is 277.97894 g/mol.
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