Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
TL;DR: Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 412948-11-9) is a chemical compound with molecular formula C12H19F6O5P and molecular weight 388.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate, 1,1-Dimethylethyl 2-[(diethoxyphosphino)oxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanoate (ACI)
Technical Specifications
| Molecular Formula | C12H19F6O5P |
| Molecular Weight | 388.08743 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.08743 Da |
| Heavy Atoms | 24 |
| Complexity | 398.0 |
| SMILES | CCOP(OCC)OC(C(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F |
| InChIKey | LGNNPBLPMKBLAU-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Property Insights of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
The XLogP value of 3.8 indicates that Tert-butyl 2-diethoxyphosphanyloxy-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 54.0 Ų, Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The CAS number of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 412948-11-9.
What is the molecular formula of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular formula of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate is C12H19F6O5P.
What is the molecular weight of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular weight of Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 388.08743 g/mol.
Where can I buy Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
You can request a quote for Tert-butyl 2-diethoxyphosphanyloxy-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 Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 2-diethoxyphosphanyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.