Cyclohexyl trifluoroacetate
TL;DR: Cyclohexyl trifluoroacetate (CAS 1549-45-7) 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.
cyclohexyl 2,2,2-trifluoroacetate
Also Known As: Cyclohexyl trifluoroacetate, cyclohexyl 2,2,2-trifluoroacetate, cyclohexyltrifluoroacetate, Trifluoroacetic acid cyclohexyl, Trifluoroaceticacidcyclohexyl
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11F3O2 |
| Molecular Weight | 196.07112 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.07112 Da |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
| SMILES | C1CCC(CC1)OC(=O)C(F)(F)F |
| InChIKey | MJNDVDVTLSBDLB-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexyl trifluoroacetate
Property Insights of Cyclohexyl trifluoroacetate
The XLogP value of 3.0 indicates that Cyclohexyl trifluoroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl trifluoroacetate 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 Cyclohexyl trifluoroacetate?
The CAS number of Cyclohexyl trifluoroacetate is 1549-45-7.
What is the molecular formula of Cyclohexyl trifluoroacetate?
The molecular formula of Cyclohexyl trifluoroacetate is C8H11F3O2.
What is the molecular weight of Cyclohexyl trifluoroacetate?
The molecular weight of Cyclohexyl trifluoroacetate is 196.07112 g/mol.
Where can I buy Cyclohexyl trifluoroacetate?
You can request a quote for Cyclohexyl trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexyl trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for Cyclohexyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.