2-Oxiranylmethyl trifluoroacetate
TL;DR: 2-Oxiranylmethyl trifluoroacetate (CAS 69161-63-3) is a chemical compound with molecular formula C5H5F3O3 and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxiran-2-ylmethyl 2,2,2-trifluoroacetate
Also Known As: 2-Oxiranylmethyl trifluoroacetate, 1,2-Epoxy-3-propyl trifluoroacetate, Trifluoroacetic acid glycidyl ester, 2-Oxiranylmethyl trifluoroacetate #, oxiran-2-ylmethyl 2,2,2-trifluoroacetate
| Molecular Formula | C5H5F3O3 |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.01907 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 69161-63-3 |
|---|---|
| SMILES | C1C(O1)COC(=O)C(F)(F)F |
| InChIKey | QTDQEMIRASUWKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxiranylmethyl trifluoroacetate (CAS 69161-63-3), with molecular formula C5H5F3O3 and molecular weight 170.02 g/mol. IUPAC: oxiran-2-ylmethyl 2,2,2-trifluoroacetate.
Chemical Property Profile of 2-Oxiranylmethyl trifluoroacetate
Property Insights of 2-Oxiranylmethyl trifluoroacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxiranylmethyl trifluoroacetate. With a topological polar surface area (TPSA) of 38.8 Ų, 2-Oxiranylmethyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxiranylmethyl trifluoroacetate has 0 hydrogen bond donor(s) and 6 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 2-Oxiranylmethyl trifluoroacetate?
The CAS number of 2-Oxiranylmethyl trifluoroacetate is 69161-63-3.
What is the molecular formula of 2-Oxiranylmethyl trifluoroacetate?
The molecular formula of 2-Oxiranylmethyl trifluoroacetate is C5H5F3O3.
What is the molecular weight of 2-Oxiranylmethyl trifluoroacetate?
The molecular weight of 2-Oxiranylmethyl trifluoroacetate is 170.02 g/mol.
Where can I buy 2-Oxiranylmethyl trifluoroacetate?
You can request a quote for 2-Oxiranylmethyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiranylmethyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiranylmethyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.