TL;DR: (4S)-5,5,5-Trifluoro-D-leucine (CAS 109719-09-7) is a chemical compound with molecular formula C6H10F3NO2 and molecular weight 185.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4S)-2-amino-5,5,5-trifluoro-4-methylpentanoic acid
Also Known As: Trifluoroleucine, (4S)-5,5,5-Trifluoro-D-leucine, (2R,4S)-2-Amino-5,5,5-trifluoro-4-methylpentanoic acid, J1.538.731I
| Molecular Formula | C6H10F3NO2 |
| Molecular Weight | 185.06636 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.06636 Da |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| SMILES | C[C@@H](C[C@H](C(=O)O)N)C(F)(F)F |
| InChIKey | XFGVJLGVINCWDP-IUYQGCFVSA-N |
The XLogP value of -0.5 indicates that (4S)-5,5,5-Trifluoro-D-leucine 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 (4S)-5,5,5-Trifluoro-D-leucine. Following Lipinski's Rule of Five, (4S)-5,5,5-Trifluoro-D-leucine 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 (4S)-5,5,5-Trifluoro-D-leucine is 109719-09-7.
The molecular formula of (4S)-5,5,5-Trifluoro-D-leucine is C6H10F3NO2.
The molecular weight of (4S)-5,5,5-Trifluoro-D-leucine is 185.06636 g/mol.
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