Perfluoroisobutyric acid
TL;DR: Perfluoroisobutyric acid (CAS 335-10-4) is a chemical compound with molecular formula C4HF7O2 and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoic acid
Also Known As: Perfluoroisobutyric acid, Heptafluoroisobutyric acid, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoic acid, Kyselina heptafluorisomaselna, Kyselina heptafluorisomaselna [Czech]
| Molecular Formula | C4HF7O2 |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.98648 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 335-10-4 |
|---|---|
| SMILES | C(=O)(C(C(F)(F)F)(C(F)(F)F)F)O |
| InChIKey | YJDMCDWHXOSSHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perfluoroisobutyric acid (CAS 335-10-4), with molecular formula C4HF7O2 and molecular weight 213.99 g/mol. IUPAC: 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoic acid.
Chemical Property Profile of Perfluoroisobutyric acid
Property Insights of Perfluoroisobutyric acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perfluoroisobutyric acid. With a topological polar surface area (TPSA) of 37.3 Ų, Perfluoroisobutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluoroisobutyric acid has 1 hydrogen bond donor(s) and 9 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 Perfluoroisobutyric acid?
The CAS number of Perfluoroisobutyric acid is 335-10-4.
What is the molecular formula of Perfluoroisobutyric acid?
The molecular formula of Perfluoroisobutyric acid is C4HF7O2.
What is the molecular weight of Perfluoroisobutyric acid?
The molecular weight of Perfluoroisobutyric acid is 213.99 g/mol.
Where can I buy Perfluoroisobutyric acid?
You can request a quote for Perfluoroisobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluoroisobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for Perfluoroisobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.