2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
TL;DR: 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 62935-20-0) is a chemical compound with molecular formula C8H10F6O2 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: 2-methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate, Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, 2-methylpropyl ester
| Molecular Formula | C8H10F6O2 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.9264 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0585 |
| Heavy Atoms | 16 |
| Complexity | 227.89354 |
Chemical Identifiers
| CAS Number | 62935-20-0 |
|---|---|
| SMILES | CC(C)COC(=O)C(C(F)(F)F)C(F)(F)F |
Product Overview
2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 62935-20-0), with molecular formula C8H10F6O2 and molecular weight 252.06 g/mol. IUPAC: 2-methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate.
Chemical Property Profile of 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Property Insights of 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
The XLogP value of 2.9264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate has 0 hydrogen bond donor(s) and 2 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-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The CAS number of 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 62935-20-0.
What is the molecular formula of 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular formula of 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is C8H10F6O2.
What is the molecular weight of 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular weight of 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 252.06 g/mol.
Where can I buy 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
You can request a quote for 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.