3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid
TL;DR: 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid (CAS 239795-58-5) is a chemical compound with molecular formula C6HF9O2 and molecular weight 275.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-enoic acid
Also Known As: PERFLUORO(4-METHYLPENT-2-ENOIC ACID), 4-(Trifluoromethyl)hexafluoropent-2-enoic acid, (E)-Perfluoro(4-methylpent-2-enoic acid), Nonafluoro(4-methylpent-2-enoic acid), Hexafluoro-4-(trifluoromethyl)pent-2-enoic acid
| Molecular Formula | C6HF9O2 |
|---|---|
| Molecular Weight | 275.98 g/mol |
| LogP | 3.0545 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.98328 |
| Heavy Atoms | 17 |
| Complexity | 335.47803 |
Chemical Identifiers
| CAS Number | 239795-58-5 |
|---|---|
| SMILES | C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)(\C(=O)O)/F |
Product Overview
3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid (CAS 239795-58-5), with molecular formula C6HF9O2 and molecular weight 275.98 g/mol. IUPAC: (E)-2,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-enoic acid.
Chemical Property Profile of 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid
Property Insights of 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid
The XLogP value of 3.0545 indicates that 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid has 1 hydrogen bond donor(s) and 1 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 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid?
The CAS number of 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid is 239795-58-5.
What is the molecular formula of 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid?
The molecular formula of 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid is C6HF9O2.
What is the molecular weight of 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid?
The molecular weight of 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid is 275.98 g/mol.
Where can I buy 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid?
You can request a quote for 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Perfluoroisopropyl)-(2E)-difluoropropenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.