2,4,5-Trifluorophenylacetic acid
TL;DR: 2,4,5-Trifluorophenylacetic acid (CAS 110860-60-1) is a chemical compound with molecular formula C8H5F3O2 and molecular weight 190.02417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4,5-trifluorophenyl)acetic acid
Also Known As: 2,4,5-Trifluorophenylacetic acid, 2-(2,4,5-trifluorophenyl)acetic Acid, null, Benzeneacetic acid, 2,4,5-trifluoro-, (2,4,5-trifluorophenyl)acetic acid
Technical Specifications
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.02417 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02417 Da |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| SMILES | C1=C(C(=CC(=C1F)F)F)CC(=O)O |
| InChIKey | YSQLGGQUQDTBSL-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,5-Trifluorophenylacetic acid
Property Insights of 2,4,5-Trifluorophenylacetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trifluorophenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4,5-Trifluorophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trifluorophenylacetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,5-Trifluorophenylacetic acid?
The CAS number of 2,4,5-Trifluorophenylacetic acid is 110860-60-1.
What is the molecular formula of 2,4,5-Trifluorophenylacetic acid?
The molecular formula of 2,4,5-Trifluorophenylacetic acid is C8H5F3O2.
What is the molecular weight of 2,4,5-Trifluorophenylacetic acid?
The molecular weight of 2,4,5-Trifluorophenylacetic acid is 190.02417 g/mol.
Where can I buy 2,4,5-Trifluorophenylacetic acid?
You can request a quote for 2,4,5-Trifluorophenylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5-Trifluorophenylacetic acid?
Yes, CoreyChem provides custom synthesis services for 2,4,5-Trifluorophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.