Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester
TL;DR: Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester (CAS 400-53-3) is a chemical compound with molecular formula C5H9F3O2Si and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilyl 2,2,2-trifluoroacetate
Also Known As: Trimethylsilyl trifluoroacetate, trimethylsilyl 2,2,2-trifluoroacetate, TMS trifluoroacetate, 3-Chlorobenzyl alcohol, trimethylsilyltrifluoroacetate
| Molecular Formula | C5H9F3O2Si |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 1.93 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.0324 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 400-53-3 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)C(F)(F)F |
| InChIKey | VIYXXANHGYSBLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester (CAS 400-53-3), with molecular formula C5H9F3O2Si and molecular weight 186.03 g/mol. IUPAC: trimethylsilyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester
Property Insights of Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester
The XLogP value of 1.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2,2,2-trifluoro-, trimethylsilyl 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, 2,2,2-trifluoro-, trimethylsilyl ester?
The CAS number of Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester is 400-53-3.
What is the molecular formula of Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester?
The molecular formula of Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester is C5H9F3O2Si.
What is the molecular weight of Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester?
The molecular weight of Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester is 186.03 g/mol.
Where can I buy Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester?
You can request a quote for Acetic acid, 2,2,2-trifluoro-, trimethylsilyl 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, 2,2,2-trifluoro-, trimethylsilyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.