4-Fluoro-2-(trifluoromethyl)cinnamic acid
TL;DR: 4-Fluoro-2-(trifluoromethyl)cinnamic acid (CAS 654-95-5) is a chemical compound with molecular formula C10H6F4O2 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid
Also Known As: 4-Fluoro-2-(trifluoromethyl)cinnamic acid, 2,3,5-Trichlorobiphenyl, 4-FLUORO-2- CINNAMICACID, 3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic Acid, (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid
| Molecular Formula | C10H6F4O2 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 2.9423 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0304 |
| Heavy Atoms | 16 |
| Complexity | 434.93542 |
Chemical Identifiers
| CAS Number | 654-95-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)C(F)(F)F)/C=C/C(=O)O |
Product Overview
4-Fluoro-2-(trifluoromethyl)cinnamic acid (CAS 654-95-5), with molecular formula C10H6F4O2 and molecular weight 234.03 g/mol. IUPAC: (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of 4-Fluoro-2-(trifluoromethyl)cinnamic acid
Property Insights of 4-Fluoro-2-(trifluoromethyl)cinnamic acid
The XLogP value of 2.9423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-(trifluoromethyl)cinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Fluoro-2-(trifluoromethyl)cinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-2-(trifluoromethyl)cinnamic 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 4-Fluoro-2-(trifluoromethyl)cinnamic acid?
The CAS number of 4-Fluoro-2-(trifluoromethyl)cinnamic acid is 654-95-5.
What is the molecular formula of 4-Fluoro-2-(trifluoromethyl)cinnamic acid?
The molecular formula of 4-Fluoro-2-(trifluoromethyl)cinnamic acid is C10H6F4O2.
What is the molecular weight of 4-Fluoro-2-(trifluoromethyl)cinnamic acid?
The molecular weight of 4-Fluoro-2-(trifluoromethyl)cinnamic acid is 234.03 g/mol.
Where can I buy 4-Fluoro-2-(trifluoromethyl)cinnamic acid?
You can request a quote for 4-Fluoro-2-(trifluoromethyl)cinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-2-(trifluoromethyl)cinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-(trifluoromethyl)cinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.