Cyclohexylmethyl trifluoroacetate
TL;DR: Cyclohexylmethyl trifluoroacetate (CAS 164071-20-9) is a chemical compound with molecular formula C9H13F3O2 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexylmethyl 2,2,2-trifluoroacetate
Also Known As: Cyclohexylmethyl trifluoroacetate, Cyclohexylmethyl trifluoroacetate #, cyclohexylmethyl 2,2,2-trifluoroacetate, Trifluoroacetic acid cyclohexylmethyl ester, Cyclohexylmethanol, trifluoroacetate (ester)
| Molecular Formula | C9H13F3O2 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.08676 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 164071-20-9 |
|---|---|
| SMILES | C1CCC(CC1)COC(=O)C(F)(F)F |
| InChIKey | BASFQMGHOQLQQV-UHFFFAOYSA-N |
Product Overview
Cyclohexylmethyl trifluoroacetate (CAS 164071-20-9), with molecular formula C9H13F3O2 and molecular weight 210.09 g/mol. IUPAC: cyclohexylmethyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Cyclohexylmethyl trifluoroacetate
Property Insights of Cyclohexylmethyl trifluoroacetate
The XLogP value of 3.6 indicates that Cyclohexylmethyl 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, Cyclohexylmethyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylmethyl 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
Frequently Asked Questions
What is the CAS number of Cyclohexylmethyl trifluoroacetate?
The CAS number of Cyclohexylmethyl trifluoroacetate is 164071-20-9.
What is the molecular formula of Cyclohexylmethyl trifluoroacetate?
The molecular formula of Cyclohexylmethyl trifluoroacetate is C9H13F3O2.
What is the molecular weight of Cyclohexylmethyl trifluoroacetate?
The molecular weight of Cyclohexylmethyl trifluoroacetate is 210.09 g/mol.
Where can I buy Cyclohexylmethyl trifluoroacetate?
You can request a quote for Cyclohexylmethyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexylmethyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexylmethyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.