Trifluoroacetic acid, 3-methylbutyl ester
TL;DR: Trifluoroacetic acid, 3-methylbutyl ester (CAS 327-69-5) is a chemical compound with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2,2,2-trifluoroacetate
Also Known As: Isopentyl trifluoroacetate, Trifluoroacetic acid, 3-methylbutyl ester, 3-methylbutyl 2,2,2-trifluoroacetate, Isopentyl trifluoroacetate #, 3-Methylbutyl trifluoroacetate
| Molecular Formula | C7H11F3O2 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.07112 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 327-69-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(F)(F)F |
| InChIKey | UOUKEYVAKRKVQA-UHFFFAOYSA-N |
Product Overview
Trifluoroacetic acid, 3-methylbutyl ester (CAS 327-69-5), with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol. IUPAC: 3-methylbutyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Trifluoroacetic acid, 3-methylbutyl ester
Property Insights of Trifluoroacetic acid, 3-methylbutyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoroacetic acid, 3-methylbutyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Trifluoroacetic acid, 3-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetic acid, 3-methylbutyl ester has 0 hydrogen bond donor(s) and 5 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 Trifluoroacetic acid, 3-methylbutyl ester?
The CAS number of Trifluoroacetic acid, 3-methylbutyl ester is 327-69-5.
What is the molecular formula of Trifluoroacetic acid, 3-methylbutyl ester?
The molecular formula of Trifluoroacetic acid, 3-methylbutyl ester is C7H11F3O2.
What is the molecular weight of Trifluoroacetic acid, 3-methylbutyl ester?
The molecular weight of Trifluoroacetic acid, 3-methylbutyl ester is 184.07 g/mol.
Where can I buy Trifluoroacetic acid, 3-methylbutyl ester?
You can request a quote for Trifluoroacetic acid, 3-methylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetic acid, 3-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetic acid, 3-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.