Heptafluorobutyric acid, 2-pentyl ester
TL;DR: Heptafluorobutyric acid, 2-pentyl ester (CAS 155090-64-5) is a chemical compound with molecular formula C9H11F7O2 and molecular weight 284.06473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 2-Pentanol, heptafluorobutyrate, Heptafluorobutyric acid, 2-pentyl ester, 1-Methylbutyl 2,2,3,3,4,4,4-heptafluorobutanoate, pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate, 1-Methylbutyl 2,2,3,3,4,4,4-heptafluorobutanoate #
Technical Specifications
| Molecular Formula | C9H11F7O2 |
| Molecular Weight | 284.06473 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.06473 Da |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
| SMILES | CCCC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | WMXOJSZHRPISCA-UHFFFAOYSA-N |
Chemical Property Profile of Heptafluorobutyric acid, 2-pentyl ester
Property Insights of Heptafluorobutyric acid, 2-pentyl ester
The XLogP value of 4.3 indicates that Heptafluorobutyric acid, 2-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, Heptafluorobutyric acid, 2-pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, 2-pentyl ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Heptafluorobutyric acid, 2-pentyl ester?
The CAS number of Heptafluorobutyric acid, 2-pentyl ester is 155090-64-5.
What is the molecular formula of Heptafluorobutyric acid, 2-pentyl ester?
The molecular formula of Heptafluorobutyric acid, 2-pentyl ester is C9H11F7O2.
What is the molecular weight of Heptafluorobutyric acid, 2-pentyl ester?
The molecular weight of Heptafluorobutyric acid, 2-pentyl ester is 284.06473 g/mol.
Where can I buy Heptafluorobutyric acid, 2-pentyl ester?
You can request a quote for Heptafluorobutyric acid, 2-pentyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptafluorobutyric acid, 2-pentyl ester?
Yes, CoreyChem provides custom synthesis services for Heptafluorobutyric acid, 2-pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.