Acetic acid, trifluoro-, o-tolyl ester
TL;DR: Acetic acid, trifluoro-, o-tolyl ester (CAS 1736-10-3) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2,2,2-trifluoroacetate
Also Known As: Acetic acid, trifluoro-, o-tolyl ester, 2-Methylphenyl trifluoroacetate, Trifluoroacetic acid o-tolyl ester, o-tolyl 2,2,2-trifluoroacetate, (2-methylphenyl) 2,2,2-trifluoroacetate
| Molecular Formula | C9H7F3O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.03981 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 1736-10-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C(F)(F)F |
| InChIKey | GCOLNXKRTCVNHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, trifluoro-, o-tolyl ester (CAS 1736-10-3), with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol. IUPAC: (2-methylphenyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, o-tolyl ester
Property Insights of Acetic acid, trifluoro-, o-tolyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, trifluoro-, o-tolyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, trifluoro-, o-tolyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, o-tolyl 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 Acetic acid, trifluoro-, o-tolyl ester?
The CAS number of Acetic acid, trifluoro-, o-tolyl ester is 1736-10-3.
What is the molecular formula of Acetic acid, trifluoro-, o-tolyl ester?
The molecular formula of Acetic acid, trifluoro-, o-tolyl ester is C9H7F3O2.
What is the molecular weight of Acetic acid, trifluoro-, o-tolyl ester?
The molecular weight of Acetic acid, trifluoro-, o-tolyl ester is 204.04 g/mol.
Where can I buy Acetic acid, trifluoro-, o-tolyl ester?
You can request a quote for Acetic acid, trifluoro-, o-tolyl 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-, o-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, o-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.