Acetic acid, trifluoro-, 2,6-dimethylphenyl ester
TL;DR: Acetic acid, trifluoro-, 2,6-dimethylphenyl ester (CAS 1842-06-4) is a chemical compound with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2,2,2-trifluoroacetate
Also Known As: 2,6-Dimethylphenol, TFA, Acetic acid, trifluoro-, 2,6-dimethylphenyl ester, 2,6-Dimethylphenyl trifluoroacetate, Acetic acid, trifluoro-, 2,6-xylyl ester, (2,6-dimethylphenyl) 2,2,2-trifluoroacetate
| Molecular Formula | C10H9F3O2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05547 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 1842-06-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)C(F)(F)F |
| InChIKey | RBLSIARVNJXYSY-UHFFFAOYSA-N |
Product Overview
Acetic acid, trifluoro-, 2,6-dimethylphenyl ester (CAS 1842-06-4), with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol. IUPAC: (2,6-dimethylphenyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, 2,6-dimethylphenyl ester
Property Insights of Acetic acid, trifluoro-, 2,6-dimethylphenyl ester
The XLogP value of 3.4 indicates that Acetic acid, trifluoro-, 2,6-dimethylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trifluoro-, 2,6-dimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, 2,6-dimethylphenyl ester 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 Acetic acid, trifluoro-, 2,6-dimethylphenyl ester?
The CAS number of Acetic acid, trifluoro-, 2,6-dimethylphenyl ester is 1842-06-4.
What is the molecular formula of Acetic acid, trifluoro-, 2,6-dimethylphenyl ester?
The molecular formula of Acetic acid, trifluoro-, 2,6-dimethylphenyl ester is C10H9F3O2.
What is the molecular weight of Acetic acid, trifluoro-, 2,6-dimethylphenyl ester?
The molecular weight of Acetic acid, trifluoro-, 2,6-dimethylphenyl ester is 218.06 g/mol.
Where can I buy Acetic acid, trifluoro-, 2,6-dimethylphenyl ester?
You can request a quote for Acetic acid, trifluoro-, 2,6-dimethylphenyl 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-, 2,6-dimethylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, 2,6-dimethylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.