Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate
TL;DR: Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate (CAS 122135-83-5) is a chemical compound with molecular formula C10H13F3O5S and molecular weight 302.04358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
Also Known As: Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate, Ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohenxene-1-carboxylate, ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate, (E)-Methyl-3-(4-fluorophenyl)acrylate, NCI60_035125
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13F3O5S |
| Molecular Weight | 302.04358 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.04358 Da |
| Heavy Atoms | 19 |
| Complexity | 472.0 |
| SMILES | CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F |
| InChIKey | VWIUHGUFSGOXDX-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate
Property Insights of Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate 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 Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate?
The CAS number of Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate is 122135-83-5.
What is the molecular formula of Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate?
The molecular formula of Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate is C10H13F3O5S.
What is the molecular weight of Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate?
The molecular weight of Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate is 302.04358 g/mol.
Where can I buy Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate?
You can request a quote for Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.