Dichlorofluoro acetonitrile
TL;DR: Dichlorofluoro acetonitrile (CAS 353-82-2) is a chemical compound with molecular formula C2Cl2FN and molecular weight 126.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-2-fluoroacetonitrile
Also Known As: Dichlorofluoro acetonitrile, 2,2-dichloro-2-fluoroacetonitrile, CFCl2CN, dichloro(fluoro)acetonitrile, dichlorofluoroacetonitrile
| Molecular Formula | C2Cl2FN |
|---|---|
| Molecular Weight | 126.94 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.939186 |
| Heavy Atoms | 6 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 353-82-2 |
|---|---|
| SMILES | C(#N)C(F)(Cl)Cl |
| InChIKey | IUHXUTRMGQCBPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichlorofluoro acetonitrile (CAS 353-82-2), with molecular formula C2Cl2FN and molecular weight 126.94 g/mol. IUPAC: 2,2-dichloro-2-fluoroacetonitrile.
Chemical Property Profile of Dichlorofluoro acetonitrile
Property Insights of Dichlorofluoro acetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichlorofluoro acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Dichlorofluoro acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichlorofluoro acetonitrile 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 Dichlorofluoro acetonitrile?
The CAS number of Dichlorofluoro acetonitrile is 353-82-2.
What is the molecular formula of Dichlorofluoro acetonitrile?
The molecular formula of Dichlorofluoro acetonitrile is C2Cl2FN.
What is the molecular weight of Dichlorofluoro acetonitrile?
The molecular weight of Dichlorofluoro acetonitrile is 126.94 g/mol.
Where can I buy Dichlorofluoro acetonitrile?
You can request a quote for Dichlorofluoro acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichlorofluoro acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Dichlorofluoro acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.