Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
TL;DR: Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 13058-57-6) is a chemical compound with molecular formula C8H10F6O2 and molecular weight 252.0585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate, butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (en)Prop
Technical Specifications
| Molecular Formula | C8H10F6O2 |
| Molecular Weight | 252.0585 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.0585 Da |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
| SMILES | CCCCOC(=O)C(C(F)(F)F)C(F)(F)F |
| InChIKey | WVCUTYQGXMRFHX-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Property Insights of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
The XLogP value of 3.6 indicates that Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The CAS number of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 13058-57-6.
What is the molecular formula of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular formula of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is C8H10F6O2.
What is the molecular weight of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular weight of Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 252.0585 g/mol.
Where can I buy Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
You can request a quote for Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Butyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.