Acetic acid, trifluoro-, 1-methylcyclohexyl ester
TL;DR: Acetic acid, trifluoro-, 1-methylcyclohexyl ester (CAS 775-75-7) is a chemical compound with molecular formula C9H13F3O2 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylcyclohexyl) 2,2,2-trifluoroacetate
Also Known As: 1-methylcyclohexyl trifluoroacetate, Acetic acid, trifluoro-, 1-methylcyclohexyl ester, 1-Methylcyclohexanol, trifluoroacetate, 1-methylcyclohexyl 2,2,2-trifluoroacetate, (1-methylcyclohexyl) 2,2,2-trifluoroacetate
| Molecular Formula | C9H13F3O2 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.8147 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.08676 |
| Heavy Atoms | 14 |
| Complexity | 216.58719 |
Chemical Identifiers
| CAS Number | 775-75-7 |
|---|---|
| SMILES | CC1(CCCCC1)OC(=O)C(F)(F)F |
Product Overview
Acetic acid, trifluoro-, 1-methylcyclohexyl ester (CAS 775-75-7), with molecular formula C9H13F3O2 and molecular weight 210.09 g/mol. IUPAC: (1-methylcyclohexyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, 1-methylcyclohexyl ester
Property Insights of Acetic acid, trifluoro-, 1-methylcyclohexyl ester
The XLogP value of 2.8147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, trifluoro-, 1-methylcyclohexyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trifluoro-, 1-methylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, 1-methylcyclohexyl 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-methylcyclohexyl ester?
The CAS number of Acetic acid, trifluoro-, 1-methylcyclohexyl ester is 775-75-7.
What is the molecular formula of Acetic acid, trifluoro-, 1-methylcyclohexyl ester?
The molecular formula of Acetic acid, trifluoro-, 1-methylcyclohexyl ester is C9H13F3O2.
What is the molecular weight of Acetic acid, trifluoro-, 1-methylcyclohexyl ester?
The molecular weight of Acetic acid, trifluoro-, 1-methylcyclohexyl ester is 210.09 g/mol.
Where can I buy Acetic acid, trifluoro-, 1-methylcyclohexyl ester?
You can request a quote for Acetic acid, trifluoro-, 1-methylcyclohexyl 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-methylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, 1-methylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.