Allyl trifluoroacetate
TL;DR: Allyl trifluoroacetate (CAS 383-67-5) is a chemical compound with molecular formula C5H5F3O2 and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2,2-trifluoroacetate
Also Known As: Allyl trifluoroacetate, Allyltrifluoroacetate, Allyl trifluoracetate, Allyl 2,2,2-trifluoroacetate, prop-2-enyl 2,2,2-trifluoroacetate
| Molecular Formula | C5H5F3O2 |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.02417 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 383-67-5 |
|---|---|
| SMILES | C=CCOC(=O)C(F)(F)F |
| InChIKey | XIVPVSIDXBTZLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl trifluoroacetate (CAS 383-67-5), with molecular formula C5H5F3O2 and molecular weight 154.02 g/mol. IUPAC: prop-2-enyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Allyl trifluoroacetate
Property Insights of Allyl trifluoroacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl trifluoroacetate?
The CAS number of Allyl trifluoroacetate is 383-67-5.
What is the molecular formula of Allyl trifluoroacetate?
The molecular formula of Allyl trifluoroacetate is C5H5F3O2.
What is the molecular weight of Allyl trifluoroacetate?
The molecular weight of Allyl trifluoroacetate is 154.02 g/mol.
Where can I buy Allyl trifluoroacetate?
You can request a quote for Allyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.