3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
TL;DR: 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate (CAS 340139-25-5) is a chemical compound with molecular formula C10H11F9O2 and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
Also Known As: 3-methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate, isopentyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
| Molecular Formula | C10H11F9O2 |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 4.249 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.06152 |
| Heavy Atoms | 21 |
| Complexity | 328.15625 |
Chemical Identifiers
| CAS Number | 340139-25-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Product Overview
3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate (CAS 340139-25-5), with molecular formula C10H11F9O2 and molecular weight 334.06 g/mol. IUPAC: 3-methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate.
Chemical Property Profile of 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
Property Insights of 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
The XLogP value of 4.249 indicates that 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(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 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The CAS number of 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is 340139-25-5.
What is the molecular formula of 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The molecular formula of 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is C10H11F9O2.
What is the molecular weight of 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The molecular weight of 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is 334.06 g/mol.
Where can I buy 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
You can request a quote for 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.