tert-Butyl 2-(trifluoromethyl)acrylate
TL;DR: tert-Butyl 2-(trifluoromethyl)acrylate (CAS 105935-79-3) 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.
tert-butyl 2-(trifluoromethyl)prop-2-enoate
Also Known As: tert-Butyl 2-(trifluoromethyl)acrylate, t-Butyl 2-(trifluoromethyl)acrylate, tert-butyl 2-(trifluoromethyl)prop-2-enoate, TFMA-B, T-BUTYL2-(TRIFLUOROMETHYL)ACRYLATE
Technical Specifications
| Molecular Formula | C8H11F3O2 |
| Molecular Weight | 196.07112 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07112 Da |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
| SMILES | CC(C)(C)OC(=O)C(=C)C(F)(F)F |
| InChIKey | RCSSZBOUAGQERK-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 2-(trifluoromethyl)acrylate
Property Insights of tert-Butyl 2-(trifluoromethyl)acrylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-(trifluoromethyl)acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 2-(trifluoromethyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-(trifluoromethyl)acrylate 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 tert-Butyl 2-(trifluoromethyl)acrylate?
The CAS number of tert-Butyl 2-(trifluoromethyl)acrylate is 105935-79-3.
What is the molecular formula of tert-Butyl 2-(trifluoromethyl)acrylate?
The molecular formula of tert-Butyl 2-(trifluoromethyl)acrylate is C8H11F3O2.
What is the molecular weight of tert-Butyl 2-(trifluoromethyl)acrylate?
The molecular weight of tert-Butyl 2-(trifluoromethyl)acrylate is 196.07112 g/mol.
Where can I buy tert-Butyl 2-(trifluoromethyl)acrylate?
You can request a quote for tert-Butyl 2-(trifluoromethyl)acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 2-(trifluoromethyl)acrylate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 2-(trifluoromethyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.