TL;DR: (alphaS)-alpha-Amino-3,4,5-trifluorobenzeneacetic acid (CAS 1022990-86-8) is a chemical compound with molecular formula C8H6F3NO2 and molecular weight 205.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-2-(3,4,5-trifluorophenyl)acetic acid
Also Known As: (2S)-2-Amino-2-(3,4,5-trifluorophenyl)acetic acid, (S)-2-Amino-2-(3,4,5-trifluorophenyl)acetic acid, (S)-Amino(3,4,5-trifluorophenyl)acetic acid, J3.666.671D, (2S)-Amino(3,4,5-trifluorophenyl)acetic acid
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.03506 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03506 Da |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| SMILES | C1=C(C=C(C(=C1F)F)F)[C@@H](C(=O)O)N |
| InChIKey | SKPOIZISALNBFF-ZETCQYMHSA-N |
The XLogP value of -0.8 indicates that (alphaS)-alpha-Amino-3,4,5-trifluorobenzeneacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (alphaS)-alpha-Amino-3,4,5-trifluorobenzeneacetic acid. Following Lipinski's Rule of Five, (alphaS)-alpha-Amino-3,4,5-trifluorobenzeneacetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (alphaS)-alpha-Amino-3,4,5-trifluorobenzeneacetic acid is 1022990-86-8.
The molecular formula of (alphaS)-alpha-Amino-3,4,5-trifluorobenzeneacetic acid is C8H6F3NO2.
The molecular weight of (alphaS)-alpha-Amino-3,4,5-trifluorobenzeneacetic acid is 205.03506 g/mol.
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