Benzyl 2,2,2-trifluoroacetate
TL;DR: Benzyl 2,2,2-trifluoroacetate (CAS 351-70-2) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,2,2-trifluoroacetate
Also Known As: Benzyl trifluoroacetate, benzyl 2,2,2-trifluoroacetate, Trifluoroacetic acid benzyl ester, benzyl2,2,2-trifluoroacetate, Trifluoroacetic acid, benzyl ester
| Molecular Formula | C9H7F3O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.03981 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 351-70-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(F)(F)F |
| InChIKey | HDYQLGLEPPGPEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2,2,2-trifluoroacetate (CAS 351-70-2), with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol. IUPAC: benzyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Benzyl 2,2,2-trifluoroacetate
Property Insights of Benzyl 2,2,2-trifluoroacetate
The XLogP value of 3.1 indicates that Benzyl 2,2,2-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, Benzyl 2,2,2-trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,2,2-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 Benzyl 2,2,2-trifluoroacetate?
The CAS number of Benzyl 2,2,2-trifluoroacetate is 351-70-2.
What is the molecular formula of Benzyl 2,2,2-trifluoroacetate?
The molecular formula of Benzyl 2,2,2-trifluoroacetate is C9H7F3O2.
What is the molecular weight of Benzyl 2,2,2-trifluoroacetate?
The molecular weight of Benzyl 2,2,2-trifluoroacetate is 204.04 g/mol.
Where can I buy Benzyl 2,2,2-trifluoroacetate?
You can request a quote for Benzyl 2,2,2-trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,2,2-trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,2,2-trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.