2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester
TL;DR: 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester (CAS 17527-31-0) is a chemical compound with molecular formula C7H7F5O2 and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4,4,4-pentafluorobutyl prop-2-enoate
Also Known As: fluoroacrylate, 3,3,4,4,4-Pentafluorobutyl acrylate, 3,3,4,4,4-pentafluorobutyl prop-2-enoate, 2:2 fluorotelomer acrylate, 1,1,2,2-Tetrahydroperfluorobutyl acrylate
| Molecular Formula | C7H7F5O2 |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.03662 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 17527-31-0 |
|---|---|
| SMILES | C=CC(=O)OCCC(C(F)(F)F)(F)F |
| InChIKey | AVVYSSRKCWEPBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester (CAS 17527-31-0), with molecular formula C7H7F5O2 and molecular weight 218.04 g/mol. IUPAC: 3,3,4,4,4-pentafluorobutyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester
Property Insights of 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl 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 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester?
The CAS number of 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester is 17527-31-0.
What is the molecular formula of 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester?
The molecular formula of 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester is C7H7F5O2.
What is the molecular weight of 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester?
The molecular weight of 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester is 218.04 g/mol.
Where can I buy 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester?
You can request a quote for 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3,3,4,4,4-pentafluorobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.