2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile
TL;DR: 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile (CAS 886497-94-5) is a chemical compound with molecular formula C9H5F4NO and molecular weight 219.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetonitrile
Also Known As: 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile, 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetonitrile, 2-(2-Fluoro-5-(trifluoromethoxy)phenyl)acetonitrile, 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanenitrile
| Molecular Formula | C9H5F4NO |
|---|---|
| Molecular Weight | 219.03 g/mol |
| LogP | 2.79038 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.03073 |
| Heavy Atoms | 15 |
| Complexity | 394.0793 |
Chemical Identifiers
| CAS Number | 886497-94-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)CC#N)F |
Product Overview
2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile (CAS 886497-94-5), with molecular formula C9H5F4NO and molecular weight 219.03 g/mol. IUPAC: 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetonitrile.
Chemical Property Profile of 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile
Property Insights of 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile
The XLogP value of 2.79038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile 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 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile?
The CAS number of 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile is 886497-94-5.
What is the molecular formula of 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile?
The molecular formula of 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile is C9H5F4NO.
What is the molecular weight of 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile?
The molecular weight of 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile is 219.03 g/mol.
Where can I buy 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile?
You can request a quote for 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-5-(trifluoromethoxy)phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.