4,4,4-Trifluorocrotonic acid
TL;DR: 4,4,4-Trifluorocrotonic acid (CAS 130130-81-3) is a chemical compound with molecular formula C4H3F3O2 and molecular weight 140.00851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4,4,4-trifluorobut-2-enoic acid
Also Known As: 4,4,4-Trifluorocrotonic acid, (E)-4,4,4-trifluorobut-2-enoic acid, 4,4,4-trifluorobut-2-enoic acid, trifluorocrotonic acid, HiDDpNDIAICICHiBeJifAAP
Technical Specifications
| Molecular Formula | C4H3F3O2 |
| Molecular Weight | 140.00851 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.00851 Da |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
| SMILES | C(=C/C(F)(F)F)\C(=O)O |
| InChIKey | QZBAYURFHCTXOJ-OWOJBTEDSA-N |
Chemical Property Profile of 4,4,4-Trifluorocrotonic acid
Property Insights of 4,4,4-Trifluorocrotonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluorocrotonic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4,4-Trifluorocrotonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluorocrotonic 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 4,4,4-Trifluorocrotonic acid?
The CAS number of 4,4,4-Trifluorocrotonic acid is 130130-81-3.
What is the molecular formula of 4,4,4-Trifluorocrotonic acid?
The molecular formula of 4,4,4-Trifluorocrotonic acid is C4H3F3O2.
What is the molecular weight of 4,4,4-Trifluorocrotonic acid?
The molecular weight of 4,4,4-Trifluorocrotonic acid is 140.00851 g/mol.
Where can I buy 4,4,4-Trifluorocrotonic acid?
You can request a quote for 4,4,4-Trifluorocrotonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,4-Trifluorocrotonic acid?
Yes, CoreyChem provides custom synthesis services for 4,4,4-Trifluorocrotonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.