2,3,4,5-Tetrafluorophenylacetonitrile
TL;DR: 2,3,4,5-Tetrafluorophenylacetonitrile (CAS 53001-74-4) is a chemical compound with molecular formula C8H3F4N and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,4,5-tetrafluorophenyl)acetonitrile
Also Known As: 2,3,4,5-Tetrafluorophenylacetonitrile, 2-(2,3,4,5-tetrafluorophenyl)acetonitrile, 2,3,4,5-Tetrafluor-benzylcyanid, 2,3,4,5-Tetrafluorobenzyl cyanide, (2,3,4,5-Tetrafluorophenyl)acetonitrile
| Molecular Formula | C8H3F4N |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 2.30908 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.02016 |
| Heavy Atoms | 13 |
| Complexity | 380.7109 |
Chemical Identifiers
| CAS Number | 53001-74-4 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1F)F)F)F)CC#N |
Product Overview
2,3,4,5-Tetrafluorophenylacetonitrile (CAS 53001-74-4), with molecular formula C8H3F4N and molecular weight 189.02 g/mol. IUPAC: 2-(2,3,4,5-tetrafluorophenyl)acetonitrile.
Chemical Property Profile of 2,3,4,5-Tetrafluorophenylacetonitrile
Property Insights of 2,3,4,5-Tetrafluorophenylacetonitrile
The XLogP value of 2.30908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrafluorophenylacetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2,3,4,5-Tetrafluorophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrafluorophenylacetonitrile 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 2,3,4,5-Tetrafluorophenylacetonitrile?
The CAS number of 2,3,4,5-Tetrafluorophenylacetonitrile is 53001-74-4.
What is the molecular formula of 2,3,4,5-Tetrafluorophenylacetonitrile?
The molecular formula of 2,3,4,5-Tetrafluorophenylacetonitrile is C8H3F4N.
What is the molecular weight of 2,3,4,5-Tetrafluorophenylacetonitrile?
The molecular weight of 2,3,4,5-Tetrafluorophenylacetonitrile is 189.02 g/mol.
Where can I buy 2,3,4,5-Tetrafluorophenylacetonitrile?
You can request a quote for 2,3,4,5-Tetrafluorophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrafluorophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrafluorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.