Chlorodifluoroacetonitrile
TL;DR: Chlorodifluoroacetonitrile (CAS 421-05-6) is a chemical compound with molecular formula C2ClF2N and molecular weight 110.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2,2-difluoroacetonitrile
Also Known As: Chlorodifluoroacetonitrile, Acetonitrile, chlorodifluoro-, N-Cyclohexylformamide, 2-chloro-2,2-difluoroacetonitrile, C2ClF2N
| Molecular Formula | C2ClF2N |
|---|---|
| Molecular Weight | 110.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.968735 |
| Heavy Atoms | 6 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 421-05-6 |
|---|---|
| SMILES | C(#N)C(F)(F)Cl |
| InChIKey | GUIPZCNIFDPABQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorodifluoroacetonitrile (CAS 421-05-6), with molecular formula C2ClF2N and molecular weight 110.97 g/mol. IUPAC: 2-chloro-2,2-difluoroacetonitrile.
Chemical Property Profile of Chlorodifluoroacetonitrile
Property Insights of Chlorodifluoroacetonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorodifluoroacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Chlorodifluoroacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorodifluoroacetonitrile 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 Chlorodifluoroacetonitrile?
The CAS number of Chlorodifluoroacetonitrile is 421-05-6.
What is the molecular formula of Chlorodifluoroacetonitrile?
The molecular formula of Chlorodifluoroacetonitrile is C2ClF2N.
What is the molecular weight of Chlorodifluoroacetonitrile?
The molecular weight of Chlorodifluoroacetonitrile is 110.97 g/mol.
Where can I buy Chlorodifluoroacetonitrile?
You can request a quote for Chlorodifluoroacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorodifluoroacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Chlorodifluoroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.