TL;DR: (2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid (CAS 104939-17-5) 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.
(2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid
Also Known As: 3,3,3-trifluoro-2-(hydroxymethyl)propanoic Acid, (2S)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid, Propanoic acid, 3,3,3-trifluoro-2-(hydroxymethyl)-, (R)-
| Molecular Formula | C4H5F3O3 |
| Molecular Weight | 158.01907 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.01907 Da |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
| SMILES | C([C@H](C(=O)O)C(F)(F)F)O |
| InChIKey | PKKMMANRRSONBS-UWTATZPHSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, (2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid has 2 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 (2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid is 104939-17-5.
The molecular formula of (2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid is C4H5F3O3.
The molecular weight of (2R)-3,3,3-trifluoro-2-(hydroxymethyl)propanoic acid is 158.01907 g/mol.
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