3-Fluoro-5-(trifluoromethyl)phenylacetonitrile
TL;DR: 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile (CAS 239087-12-8) is a chemical compound with molecular formula C9H5F4N and molecular weight 203.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile
Also Known As: 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile, 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile, 3-Fluoro-5-(trifluoromethyl)benzyl cyanide, Intermediates-ZCF02644, 3-fluoro-5-trifluoromethylbenzyl cyanide
| Molecular Formula | C9H5F4N |
|---|---|
| Molecular Weight | 203.04 g/mol |
| LogP | 2.91058 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.03581 |
| Heavy Atoms | 14 |
| Complexity | 375.37885 |
Chemical Identifiers
| CAS Number | 239087-12-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)F)CC#N |
Product Overview
3-Fluoro-5-(trifluoromethyl)phenylacetonitrile (CAS 239087-12-8), with molecular formula C9H5F4N and molecular weight 203.04 g/mol. IUPAC: 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile.
Chemical Property Profile of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile
Property Insights of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile
The XLogP value of 2.91058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile has 0 hydrogen bond donor(s) and 1 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-Fluoro-5-(trifluoromethyl)phenylacetonitrile?
The CAS number of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile is 239087-12-8.
What is the molecular formula of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile?
The molecular formula of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile is C9H5F4N.
What is the molecular weight of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile?
The molecular weight of 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile is 203.04 g/mol.
Where can I buy 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile?
You can request a quote for 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.