3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
TL;DR: 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid (CAS 45048-36-0) is a chemical compound with molecular formula C5H4F6O2 and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
Also Known As: 2,2-Bis(trifluoromethyl)propionic acid, hexafluoropivalic acid, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic Acid, 2,2-Bis(trifluoromethyl)propanoic acid, 2,2-Bis(trifluoromethyl)propionic acid 50g
| Molecular Formula | C5H4F6O2 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.2019 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.01155 |
| Heavy Atoms | 13 |
| Complexity | 200.04495 |
Chemical Identifiers
| CAS Number | 45048-36-0 |
|---|---|
| SMILES | CC(C(=O)O)(C(F)(F)F)C(F)(F)F |
Product Overview
3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid (CAS 45048-36-0), with molecular formula C5H4F6O2 and molecular weight 210.01 g/mol. IUPAC: 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid.
Chemical Property Profile of 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
Property Insights of 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
The XLogP value of 2.2019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic 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 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The CAS number of 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid is 45048-36-0.
What is the molecular formula of 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The molecular formula of 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid is C5H4F6O2.
What is the molecular weight of 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The molecular weight of 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid is 210.01 g/mol.
Where can I buy 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
You can request a quote for 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.