Propyl pentafluoropropanoate
TL;DR: Propyl pentafluoropropanoate (CAS 39118-07-5) is a chemical compound with molecular formula C6H7F5O2 and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: Propyl pentafluoropropanoate, n-propyl pentafluoropropionate, propyl 2,2,3,3,3-pentafluoropropanoate, Pentafluoropropionic acid, propyl ester, Propanoic acid, pentafluoro-, propyl ester
| Molecular Formula | C6H7F5O2 |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.03662 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 39118-07-5 |
|---|---|
| SMILES | CCCOC(=O)C(C(F)(F)F)(F)F |
| InChIKey | NZZLJQBPSUUZOQ-UHFFFAOYSA-N |
Product Overview
Propyl pentafluoropropanoate (CAS 39118-07-5), with molecular formula C6H7F5O2 and molecular weight 206.04 g/mol. IUPAC: propyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Propyl pentafluoropropanoate
Property Insights of Propyl pentafluoropropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl pentafluoropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl pentafluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl pentafluoropropanoate?
The CAS number of Propyl pentafluoropropanoate is 39118-07-5.
What is the molecular formula of Propyl pentafluoropropanoate?
The molecular formula of Propyl pentafluoropropanoate is C6H7F5O2.
What is the molecular weight of Propyl pentafluoropropanoate?
The molecular weight of Propyl pentafluoropropanoate is 206.04 g/mol.
Where can I buy Propyl pentafluoropropanoate?
You can request a quote for Propyl pentafluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl pentafluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl pentafluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.