2,3-Difluorophenylacetonitrile
TL;DR: 2,3-Difluorophenylacetonitrile (CAS 3743-28-0) is a chemical compound with molecular formula C8H5F2N and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-difluorophenyl)acetonitrile
Also Known As: 2,3-Difluorophenylacetonitrile, 2-(2,3-difluorophenyl)acetonitrile, 2,3-difluorobenzyl cyanide, Benzeneacetonitrile, 2,3-difluoro-, 3-Hydroxybenzanilide
| Molecular Formula | C8H5F2N |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.039 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 3743-28-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)F)CC#N |
| InChIKey | IYRCHGRRMKOSHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Difluorophenylacetonitrile (CAS 3743-28-0), with molecular formula C8H5F2N and molecular weight 153.04 g/mol. IUPAC: 2-(2,3-difluorophenyl)acetonitrile.
Chemical Property Profile of 2,3-Difluorophenylacetonitrile
Property Insights of 2,3-Difluorophenylacetonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Difluorophenylacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Difluorophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Difluorophenylacetonitrile has 0 hydrogen bond donor(s) and 3 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-Difluorophenylacetonitrile?
The CAS number of 2,3-Difluorophenylacetonitrile is 3743-28-0.
What is the molecular formula of 2,3-Difluorophenylacetonitrile?
The molecular formula of 2,3-Difluorophenylacetonitrile is C8H5F2N.
What is the molecular weight of 2,3-Difluorophenylacetonitrile?
The molecular weight of 2,3-Difluorophenylacetonitrile is 153.04 g/mol.
Where can I buy 2,3-Difluorophenylacetonitrile?
You can request a quote for 2,3-Difluorophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Difluorophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Difluorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.