3-(Trifluoromethoxy)phenylacetic Acid
TL;DR: 3-(Trifluoromethoxy)phenylacetic Acid (CAS 110102-86-8) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethoxy)phenyl]acetic acid
Also Known As: 3-(Trifluoromethoxy)phenylacetic Acid, 3-Trifluoromethoxyphenylacetic acid, 2-[3-(trifluoromethoxy)phenyl]acetic Acid, Benzeneacetic acid, 3-(trifluoromethoxy)-, 2-(3-(trifluoromethoxy)phenyl)acetic acid
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.2123 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03473 |
| Heavy Atoms | 15 |
| Complexity | 359.86536 |
Chemical Identifiers
| CAS Number | 110102-86-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)O |
Product Overview
3-(Trifluoromethoxy)phenylacetic Acid (CAS 110102-86-8), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: 2-[3-(trifluoromethoxy)phenyl]acetic acid.
Chemical Property Profile of 3-(Trifluoromethoxy)phenylacetic Acid
Property Insights of 3-(Trifluoromethoxy)phenylacetic Acid
The XLogP value of 2.2123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethoxy)phenylacetic Acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(Trifluoromethoxy)phenylacetic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethoxy)phenylacetic Acid has 1 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 3-(Trifluoromethoxy)phenylacetic Acid?
The CAS number of 3-(Trifluoromethoxy)phenylacetic Acid is 110102-86-8.
What is the molecular formula of 3-(Trifluoromethoxy)phenylacetic Acid?
The molecular formula of 3-(Trifluoromethoxy)phenylacetic Acid is C9H7F3O3.
What is the molecular weight of 3-(Trifluoromethoxy)phenylacetic Acid?
The molecular weight of 3-(Trifluoromethoxy)phenylacetic Acid is 220.03 g/mol.
Where can I buy 3-(Trifluoromethoxy)phenylacetic Acid?
You can request a quote for 3-(Trifluoromethoxy)phenylacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethoxy)phenylacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethoxy)phenylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.