Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate
TL;DR: Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate (CAS 144193-98-6) is a chemical compound with molecular formula C8H11F3O2 and molecular weight 196.07112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate
Also Known As: ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate, Ethyl 3,4,4-trifluoro-2,2-dimethyl-but-3-enoate, But-3-enoic acid, 3,4,4-trifluoro-2,2-dimethyl-, ethyl ester, 3,4,4-Trifluoro-2,2-dimethyl-3-butenoic acid ethyl ester
Technical Specifications
| Molecular Formula | C8H11F3O2 |
| Molecular Weight | 196.07112 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07112 Da |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
| SMILES | CCOC(=O)C(C)(C)C(=C(F)F)F |
| InChIKey | CTHOUJQSKWEKMV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate
Property Insights of Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate has 0 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 Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate?
The CAS number of Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate is 144193-98-6.
What is the molecular formula of Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate?
The molecular formula of Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate is C8H11F3O2.
What is the molecular weight of Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate?
The molecular weight of Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate is 196.07112 g/mol.
Where can I buy Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate?
You can request a quote for Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3,4,4-trifluoro-2,2-dimethylbut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.