4,5,5-trifluoropent-4-enoic Acid
TL;DR: 4,5,5-trifluoropent-4-enoic Acid (CAS 110003-22-0) is a chemical compound with molecular formula C5H5F3O2 and molecular weight 154.02417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,5-trifluoropent-4-enoic acid
Also Known As: 4,5,5-trifluoropent-4-enoic Acid, 3-(4-Tolyl)Pyrazole, 4,5,5-trifluoro-4-pentenoic acid, 4,5,5-TRIFLUOROPENT-4-ENOICACID, 4-Pentenoic acid,4,5,5-trifluoro-
Technical Specifications
| Molecular Formula | C5H5F3O2 |
| Molecular Weight | 154.02417 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.02417 Da |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
| SMILES | C(CC(=O)O)C(=C(F)F)F |
| InChIKey | YWHZHTHRRXAUFQ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5,5-trifluoropent-4-enoic Acid
Property Insights of 4,5,5-trifluoropent-4-enoic Acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,5-trifluoropent-4-enoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4,5,5-trifluoropent-4-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,5-trifluoropent-4-enoic 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 4,5,5-trifluoropent-4-enoic Acid?
The CAS number of 4,5,5-trifluoropent-4-enoic Acid is 110003-22-0.
What is the molecular formula of 4,5,5-trifluoropent-4-enoic Acid?
The molecular formula of 4,5,5-trifluoropent-4-enoic Acid is C5H5F3O2.
What is the molecular weight of 4,5,5-trifluoropent-4-enoic Acid?
The molecular weight of 4,5,5-trifluoropent-4-enoic Acid is 154.02417 g/mol.
Where can I buy 4,5,5-trifluoropent-4-enoic Acid?
You can request a quote for 4,5,5-trifluoropent-4-enoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5,5-trifluoropent-4-enoic Acid?
Yes, CoreyChem provides custom synthesis services for 4,5,5-trifluoropent-4-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.