Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester
TL;DR: Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester (CAS 54833-26-0) is a chemical compound with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
Also Known As: Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester, 2,2-dimethylpropane-1,3-diyl bis(2,2,2-trifluoroacetate), 2,2-Dimethyl-3-[(trifluoroacetyl)oxy]propyl trifluoroacetate #, Bis(trifluoroacetic acid)2,2-dimethyl-1,3-propanediyl ester, [2,2-dimethyl-3-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
| Molecular Formula | C9H10F6O4 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.04834 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 54833-26-0 |
|---|---|
| SMILES | CC(C)(COC(=O)C(F)(F)F)COC(=O)C(F)(F)F |
| InChIKey | KFLIKQBPROVTGK-UHFFFAOYSA-N |
Product Overview
Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester (CAS 54833-26-0), with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol. IUPAC: [2,2-dimethyl-3-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester
Property Insights of Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester
The XLogP value of 3.4 indicates that Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester has 0 hydrogen bond donor(s) and 10 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 Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester?
The CAS number of Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester is 54833-26-0.
What is the molecular formula of Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester?
The molecular formula of Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester is C9H10F6O4.
What is the molecular weight of Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester?
The molecular weight of Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester is 296.05 g/mol.
Where can I buy Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester?
You can request a quote for Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, 2,2-dimethyl-1,3-propanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.