Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
TL;DR: Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 13058-56-5) is a chemical compound with molecular formula C7H8F6O2 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate, isopropyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (en)
| Molecular Formula | C7H8F6O2 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 2.6788 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.04285 |
| Heavy Atoms | 15 |
| Complexity | 214.61536 |
Chemical Identifiers
| CAS Number | 13058-56-5 |
|---|---|
| SMILES | CC(C)OC(=O)C(C(F)(F)F)C(F)(F)F |
Product Overview
Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CAS 13058-56-5), with molecular formula C7H8F6O2 and molecular weight 238.04 g/mol. IUPAC: propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate.
Chemical Property Profile of Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Property Insights of Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
The XLogP value of 2.6788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 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 Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The CAS number of Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 13058-56-5.
What is the molecular formula of Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular formula of Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is C7H8F6O2.
What is the molecular weight of Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The molecular weight of Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is 238.04 g/mol.
Where can I buy Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
You can request a quote for Propan-2-yl 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 Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.