Butyl 2,2,3,3,3-pentafluoropropanoate
TL;DR: Butyl 2,2,3,3,3-pentafluoropropanoate (CAS 680-28-4) is a chemical compound with molecular formula C7H9F5O2 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: n-Butyl pentafluoropropionate, Butyl pentafluoropropanoate, butyl 2,2,3,3,3-pentafluoropropanoate, Butyl perfluoropropanoate, N-BUTYLPENTAFLUOROPROPIONATE
| Molecular Formula | C7H9F5O2 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.05228 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 680-28-4 |
|---|---|
| SMILES | CCCCOC(=O)C(C(F)(F)F)(F)F |
| InChIKey | DUTTZBRMOIAYKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2,2,3,3,3-pentafluoropropanoate (CAS 680-28-4), with molecular formula C7H9F5O2 and molecular weight 220.05 g/mol. IUPAC: butyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Butyl 2,2,3,3,3-pentafluoropropanoate
Property Insights of Butyl 2,2,3,3,3-pentafluoropropanoate
The XLogP value of 3.0 indicates that Butyl 2,2,3,3,3-pentafluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2,2,3,3,3-pentafluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2,2,3,3,3-pentafluoropropanoate 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 Butyl 2,2,3,3,3-pentafluoropropanoate?
The CAS number of Butyl 2,2,3,3,3-pentafluoropropanoate is 680-28-4.
What is the molecular formula of Butyl 2,2,3,3,3-pentafluoropropanoate?
The molecular formula of Butyl 2,2,3,3,3-pentafluoropropanoate is C7H9F5O2.
What is the molecular weight of Butyl 2,2,3,3,3-pentafluoropropanoate?
The molecular weight of Butyl 2,2,3,3,3-pentafluoropropanoate is 220.05 g/mol.
Where can I buy Butyl 2,2,3,3,3-pentafluoropropanoate?
You can request a quote for Butyl 2,2,3,3,3-pentafluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,2,3,3,3-pentafluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,2,3,3,3-pentafluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.