3-(Trifluoromethyl)phenoxyacetonitrile
TL;DR: 3-(Trifluoromethyl)phenoxyacetonitrile (CAS 2145-31-5) is a chemical compound with molecular formula C9H6F3NO and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenoxy]acetonitrile
Also Known As: 3-(Trifluoromethyl)phenoxyacetonitrile, 2-[3-(trifluoromethyl)phenoxy]acetonitrile, 2-(3-(Trifluoromethyl)phenoxy)acetonitrile, [3-(Trifluoromethyl)phenoxy]acetonitrile, 3- PHENOXYACETONITRILE
| Molecular Formula | C9H6F3NO |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.04015 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 2145-31-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC#N)C(F)(F)F |
| InChIKey | UGZFDPFADQHEMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)phenoxyacetonitrile (CAS 2145-31-5), with molecular formula C9H6F3NO and molecular weight 201.04 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenoxy]acetonitrile.
Chemical Property Profile of 3-(Trifluoromethyl)phenoxyacetonitrile
Property Insights of 3-(Trifluoromethyl)phenoxyacetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethyl)phenoxyacetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(Trifluoromethyl)phenoxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenoxyacetonitrile 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 3-(Trifluoromethyl)phenoxyacetonitrile?
The CAS number of 3-(Trifluoromethyl)phenoxyacetonitrile is 2145-31-5.
What is the molecular formula of 3-(Trifluoromethyl)phenoxyacetonitrile?
The molecular formula of 3-(Trifluoromethyl)phenoxyacetonitrile is C9H6F3NO.
What is the molecular weight of 3-(Trifluoromethyl)phenoxyacetonitrile?
The molecular weight of 3-(Trifluoromethyl)phenoxyacetonitrile is 201.04 g/mol.
Where can I buy 3-(Trifluoromethyl)phenoxyacetonitrile?
You can request a quote for 3-(Trifluoromethyl)phenoxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)phenoxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenoxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.