2H-Hexafluoro(2-methylpropanoic acid)
TL;DR: 2H-Hexafluoro(2-methylpropanoic acid) (CAS 56816-80-9) is a chemical compound with molecular formula C4H2F6O2 and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
Also Known As: 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid, hexafluoroisobutyric acid, 2h-perfluoroisobutyric acid, 3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid, (CF3)2CHCO2H
| Molecular Formula | C4H2F6O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.9959 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 56816-80-9 |
|---|---|
| SMILES | C(C(=O)O)(C(F)(F)F)C(F)(F)F |
| InChIKey | RAEAYTICAPHWJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Hexafluoro(2-methylpropanoic acid) (CAS 56816-80-9), with molecular formula C4H2F6O2 and molecular weight 196.00 g/mol. IUPAC: 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid.
Chemical Property Profile of 2H-Hexafluoro(2-methylpropanoic acid)
Property Insights of 2H-Hexafluoro(2-methylpropanoic acid)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Hexafluoro(2-methylpropanoic acid). With a topological polar surface area (TPSA) of 37.3 Ų, 2H-Hexafluoro(2-methylpropanoic acid) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Hexafluoro(2-methylpropanoic acid) has 1 hydrogen bond donor(s) and 8 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 2H-Hexafluoro(2-methylpropanoic acid)?
The CAS number of 2H-Hexafluoro(2-methylpropanoic acid) is 56816-80-9.
What is the molecular formula of 2H-Hexafluoro(2-methylpropanoic acid)?
The molecular formula of 2H-Hexafluoro(2-methylpropanoic acid) is C4H2F6O2.
What is the molecular weight of 2H-Hexafluoro(2-methylpropanoic acid)?
The molecular weight of 2H-Hexafluoro(2-methylpropanoic acid) is 196.00 g/mol.
Where can I buy 2H-Hexafluoro(2-methylpropanoic acid)?
You can request a quote for 2H-Hexafluoro(2-methylpropanoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Hexafluoro(2-methylpropanoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 2H-Hexafluoro(2-methylpropanoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.