Pentafluoropropionic acid, pentyl ester
TL;DR: Pentafluoropropionic acid, pentyl ester (CAS 680-29-5) is a chemical compound with molecular formula C8H11F5O2 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: Pentyl pentafluoropropanoate, Pentyl pentafluoropropionate, Pentafluoropropionic acid, pentyl ester, 1-Pentanol, pentafluoropropionate, Pentyl 2,2,3,3,3-pentafluoropropanoate
| Molecular Formula | C8H11F5O2 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.06792 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 680-29-5 |
|---|---|
| SMILES | CCCCCOC(=O)C(C(F)(F)F)(F)F |
| InChIKey | BPYYNYLCDRAOKR-UHFFFAOYSA-N |
Product Overview
Pentafluoropropionic acid, pentyl ester (CAS 680-29-5), with molecular formula C8H11F5O2 and molecular weight 234.07 g/mol. IUPAC: pentyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Pentafluoropropionic acid, pentyl ester
Property Insights of Pentafluoropropionic acid, pentyl ester
The XLogP value of 3.5 indicates that Pentafluoropropionic acid, pentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentafluoropropionic acid, pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoropropionic acid, pentyl ester 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 Pentafluoropropionic acid, pentyl ester?
The CAS number of Pentafluoropropionic acid, pentyl ester is 680-29-5.
What is the molecular formula of Pentafluoropropionic acid, pentyl ester?
The molecular formula of Pentafluoropropionic acid, pentyl ester is C8H11F5O2.
What is the molecular weight of Pentafluoropropionic acid, pentyl ester?
The molecular weight of Pentafluoropropionic acid, pentyl ester is 234.07 g/mol.
Where can I buy Pentafluoropropionic acid, pentyl ester?
You can request a quote for Pentafluoropropionic acid, pentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoropropionic acid, pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoropropionic acid, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.