2-Fluoro-4-(trifluoromethyl)phenylacetic acid
TL;DR: 2-Fluoro-4-(trifluoromethyl)phenylacetic acid (CAS 177985-32-9) is a chemical compound with molecular formula C9H6F4O2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid
Also Known As: 2-Fluoro-4-(trifluoromethyl)phenylacetic acid, 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic Acid, 2-Fluoro-4-trifluoromethyphenylacetic acid, Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-, 0740AB
| Molecular Formula | C9H6F4O2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.4716 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0304 |
| Heavy Atoms | 15 |
| Complexity | 384.189 |
Chemical Identifiers
| CAS Number | 177985-32-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)F)CC(=O)O |
Product Overview
2-Fluoro-4-(trifluoromethyl)phenylacetic acid (CAS 177985-32-9), with molecular formula C9H6F4O2 and molecular weight 222.03 g/mol. IUPAC: 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid
Property Insights of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid
The XLogP value of 2.4716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-(trifluoromethyl)phenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Fluoro-4-(trifluoromethyl)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-(trifluoromethyl)phenylacetic acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid?
The CAS number of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid is 177985-32-9.
What is the molecular formula of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid?
The molecular formula of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid is C9H6F4O2.
What is the molecular weight of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid?
The molecular weight of 2-Fluoro-4-(trifluoromethyl)phenylacetic acid is 222.03 g/mol.
Where can I buy 2-Fluoro-4-(trifluoromethyl)phenylacetic acid?
You can request a quote for 2-Fluoro-4-(trifluoromethyl)phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-(trifluoromethyl)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-(trifluoromethyl)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.