![3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid structure](/static/products/1395/1395080-16-6.webp)
3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid
TL;DR: 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid (CAS 1395080-16-6) is a chemical compound with molecular formula C10H6F4O2 and molecular weight 234.0304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Also Known As: 3-Fluoro-4-(trifluoromethyl)cinnamic acid, 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid, 3-Fluoro-4-(trifluoromethyl)cinnamicacid, (E)-3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acid, 3-(3-Fluoro-4-(trifluoromethyl)phenyl)acrylic acid
Technical Specifications
| Molecular Formula | C10H6F4O2 |
| Molecular Weight | 234.0304 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0304 Da |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)F)C(F)(F)F |
| InChIKey | LUEWWWLVURRLNN-UHFFFAOYSA-N |
Chemical Property Profile of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid
Property Insights of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid?
The CAS number of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid is 1395080-16-6.
What is the molecular formula of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid?
The molecular formula of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid is C10H6F4O2.
What is the molecular weight of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid?
The molecular weight of 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid is 234.0304 g/mol.
Where can I buy 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid?
You can request a quote for 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.