Acetic acid, trifluoro, 1-methylheptyl ester
TL;DR: Acetic acid, trifluoro, 1-methylheptyl ester (CAS 332-83-2) is a chemical compound with molecular formula C10H17F3O2 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl 2,2,2-trifluoroacetate
Also Known As: 2-octyl-trifluoroacetate, 2-Octyl trifluoroacetate, 2-Octanol, trifluoroacetate, octan-2-yl 2,2,2-trifluoroacetate, 1-Methylheptyl trifluoroacetate
| Molecular Formula | C10H17F3O2 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 3.4508 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.11806 |
| Heavy Atoms | 15 |
| Complexity | 189.59674 |
Chemical Identifiers
| CAS Number | 332-83-2 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C(F)(F)F |
Product Overview
Acetic acid, trifluoro, 1-methylheptyl ester (CAS 332-83-2), with molecular formula C10H17F3O2 and molecular weight 226.12 g/mol. IUPAC: octan-2-yl 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro, 1-methylheptyl ester
Property Insights of Acetic acid, trifluoro, 1-methylheptyl ester
The XLogP value of 3.4508 indicates that Acetic acid, trifluoro, 1-methylheptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trifluoro, 1-methylheptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro, 1-methylheptyl ester 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 Acetic acid, trifluoro, 1-methylheptyl ester?
The CAS number of Acetic acid, trifluoro, 1-methylheptyl ester is 332-83-2.
What is the molecular formula of Acetic acid, trifluoro, 1-methylheptyl ester?
The molecular formula of Acetic acid, trifluoro, 1-methylheptyl ester is C10H17F3O2.
What is the molecular weight of Acetic acid, trifluoro, 1-methylheptyl ester?
The molecular weight of Acetic acid, trifluoro, 1-methylheptyl ester is 226.12 g/mol.
Where can I buy Acetic acid, trifluoro, 1-methylheptyl ester?
You can request a quote for Acetic acid, trifluoro, 1-methylheptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trifluoro, 1-methylheptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro, 1-methylheptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.