TL;DR: Perfluoro-1,3-dimethyladamantane (CAS 36481-20-6) is a chemical compound with molecular formula C12F20 and molecular weight 523.9681 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,2,3,4,4,6,6,8,8,9,9,10,10-tetradecafluoro-5,7-bis(trifluoromethyl)adamantane
Also Known As: Perfluoro-1,3-dimethyladamantane, FDMA, F-1,3-Dma, Fluoro-1,3-dimethyloadamantane, Perfluorodimethyladamantane
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12F20 |
| Molecular Weight | 523.9681 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 0 |
| Exact Mass | 523.9681 Da |
| Heavy Atoms | 32 |
| Complexity | 768.0 |
| SMILES | C12(C(C3(C(C(C1(F)F)(C(C(C2(F)F)(C3(F)F)F)(F)F)F)(F)F)C(F)(F)F)(F)F)C(F)(F)F |
| InChIKey | LRMQIJUOLGKFKS-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that Perfluoro-1,3-dimethyladamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Perfluoro-1,3-dimethyladamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluoro-1,3-dimethyladamantane has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Perfluoro-1,3-dimethyladamantane is 36481-20-6.
The molecular formula of Perfluoro-1,3-dimethyladamantane is C12F20.
The molecular weight of Perfluoro-1,3-dimethyladamantane is 523.9681 g/mol.
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