tert-Butyl pentafluoropropionate
TL;DR: tert-Butyl pentafluoropropionate (CAS 55258-30-5) 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.
tert-butyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: tert-Butyl pentafluoropropionate, T-BUTYL PENTAFLUOROPROPIONATE, tert-butyl 2,2,3,3,3-pentafluoropropanoate, T-BUTYLPENTAFLUOROPROPIONATE, tert-Butyl pentafluoropropanoate
| Molecular Formula | C7H9F5O2 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.5257 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.05228 |
| Heavy Atoms | 14 |
| Complexity | 225.2151 |
Chemical Identifiers
| CAS Number | 55258-30-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C(F)(F)F)(F)F |
Product Overview
tert-Butyl pentafluoropropionate (CAS 55258-30-5), with molecular formula C7H9F5O2 and molecular weight 220.05 g/mol. IUPAC: tert-butyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of tert-Butyl pentafluoropropionate
Property Insights of tert-Butyl pentafluoropropionate
The XLogP value of 2.5257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl pentafluoropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl pentafluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl pentafluoropropionate has 0 hydrogen bond donor(s) and 2 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 tert-Butyl pentafluoropropionate?
The CAS number of tert-Butyl pentafluoropropionate is 55258-30-5.
What is the molecular formula of tert-Butyl pentafluoropropionate?
The molecular formula of tert-Butyl pentafluoropropionate is C7H9F5O2.
What is the molecular weight of tert-Butyl pentafluoropropionate?
The molecular weight of tert-Butyl pentafluoropropionate is 220.05 g/mol.
Where can I buy tert-Butyl pentafluoropropionate?
You can request a quote for tert-Butyl pentafluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl pentafluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl pentafluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.