2-(Trifluoromethyl)phenyl acetate
TL;DR: 2-(Trifluoromethyl)phenyl acetate (CAS 400629-06-3) 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-(trifluoromethyl)phenyl] acetate
Also Known As: 2-(trifluoromethyl)phenyl acetate, 2-Acetoxybenzotrifluoride, 2- PHENYLACETATE, 2-(trifluoromethyl)phenylacetate, acetic acid,O-CF3 phenyl ester
| Molecular Formula | C9H7F3O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.6 |
| 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 | 400629-06-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(F)(F)F |
| InChIKey | GNFCRFCIPJLCLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)phenyl acetate (CAS 400629-06-3), with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol. IUPAC: [2-(trifluoromethyl)phenyl] acetate.
Chemical Property Profile of 2-(Trifluoromethyl)phenyl acetate
Property Insights of 2-(Trifluoromethyl)phenyl acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)phenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Trifluoromethyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)phenyl acetate 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 2-(Trifluoromethyl)phenyl acetate?
The CAS number of 2-(Trifluoromethyl)phenyl acetate is 400629-06-3.
What is the molecular formula of 2-(Trifluoromethyl)phenyl acetate?
The molecular formula of 2-(Trifluoromethyl)phenyl acetate is C9H7F3O2.
What is the molecular weight of 2-(Trifluoromethyl)phenyl acetate?
The molecular weight of 2-(Trifluoromethyl)phenyl acetate is 204.04 g/mol.
Where can I buy 2-(Trifluoromethyl)phenyl acetate?
You can request a quote for 2-(Trifluoromethyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.