Allyl pentafluoropropionate
TL;DR: Allyl pentafluoropropionate (CAS 58883-50-4) is a chemical compound with molecular formula C6H5F5O2 and molecular weight 204.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: Allyl pentafluoropropionate, allyl pentafluoropropanoate, pentafluoropropionate 2-propenyl ester, Prop-2-en-1-yl pentafluoropropanoate, Pentafluoropropanoic acid 2-propenyl ester
| Molecular Formula | C6H5F5O2 |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.02097 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 58883-50-4 |
|---|---|
| SMILES | C=CCOC(=O)C(C(F)(F)F)(F)F |
| InChIKey | AMEPFZHWBYLCRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl pentafluoropropionate (CAS 58883-50-4), with molecular formula C6H5F5O2 and molecular weight 204.02 g/mol. IUPAC: prop-2-enyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Allyl pentafluoropropionate
Property Insights of Allyl pentafluoropropionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl pentafluoropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl pentafluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl pentafluoropropionate has 0 hydrogen bond donor(s) and 7 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 pentafluoropropionate?
The CAS number of Allyl pentafluoropropionate is 58883-50-4.
What is the molecular formula of Allyl pentafluoropropionate?
The molecular formula of Allyl pentafluoropropionate is C6H5F5O2.
What is the molecular weight of Allyl pentafluoropropionate?
The molecular weight of Allyl pentafluoropropionate is 204.02 g/mol.
Where can I buy Allyl pentafluoropropionate?
You can request a quote for Allyl pentafluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl pentafluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Allyl pentafluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.