TL;DR: 2-(2,2,2-Trifluoroethoxy)acetic acid (CAS 156783-95-8) is a chemical compound with molecular formula C4H5F3O3 and molecular weight 158.01907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2,2-trifluoroethoxy)acetic acid
Also Known As: (2,2,2-trifluoroethoxy)acetic acid, 2-(2,2,2-trifluoroethoxy)acetic Acid, aceticacid, trifluoroethoxy acetic acid, (2,2,2-trifluoroethoxy)ethanoic acid
| Molecular Formula | C4H5F3O3 |
| Molecular Weight | 158.01907 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.01907 Da |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
| SMILES | C(C(=O)O)OCC(F)(F)F |
| InChIKey | ICSOIMDWVVEKBW-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2,2-Trifluoroethoxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(2,2,2-Trifluoroethoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2,2-Trifluoroethoxy)acetic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2,2,2-Trifluoroethoxy)acetic acid is 156783-95-8.
The molecular formula of 2-(2,2,2-Trifluoroethoxy)acetic acid is C4H5F3O3.
The molecular weight of 2-(2,2,2-Trifluoroethoxy)acetic acid is 158.01907 g/mol.
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