Acetic acid, trifluoro-, 1-methylundecyl ester
TL;DR: Acetic acid, trifluoro-, 1-methylundecyl ester (CAS 1894-68-4) is a chemical compound with molecular formula C14H25F3O2 and molecular weight 282.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecan-2-yl 2,2,2-trifluoroacetate
Also Known As: 2-Trifluoroacetoxydodecane, Dodecan-2-yl trifluoroacetate, dodecan-2-yl 2,2,2-trifluoroacetate, 1-Methylundecyl trifluoroacetate #, Acetic acid, trifluoro-, 1-methylundecyl ester
| Molecular Formula | C14H25F3O2 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 282.18066 |
| Heavy Atoms | 19 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 1894-68-4 |
|---|---|
| SMILES | CCCCCCCCCCC(C)OC(=O)C(F)(F)F |
| InChIKey | RDYXOENSCHDACI-UHFFFAOYSA-N |
Product Overview
Acetic acid, trifluoro-, 1-methylundecyl ester (CAS 1894-68-4), with molecular formula C14H25F3O2 and molecular weight 282.18 g/mol. IUPAC: dodecan-2-yl 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, 1-methylundecyl ester
Property Insights of Acetic acid, trifluoro-, 1-methylundecyl ester
The XLogP value of 6.7 indicates that Acetic acid, trifluoro-, 1-methylundecyl 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-methylundecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, 1-methylundecyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, trifluoro-, 1-methylundecyl ester?
The CAS number of Acetic acid, trifluoro-, 1-methylundecyl ester is 1894-68-4.
What is the molecular formula of Acetic acid, trifluoro-, 1-methylundecyl ester?
The molecular formula of Acetic acid, trifluoro-, 1-methylundecyl ester is C14H25F3O2.
What is the molecular weight of Acetic acid, trifluoro-, 1-methylundecyl ester?
The molecular weight of Acetic acid, trifluoro-, 1-methylundecyl ester is 282.18 g/mol.
Where can I buy Acetic acid, trifluoro-, 1-methylundecyl ester?
You can request a quote for Acetic acid, trifluoro-, 1-methylundecyl 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-methylundecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, 1-methylundecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.