Dibromo fluoroacetonitrile
TL;DR: Dibromo fluoroacetonitrile (CAS 6698-74-4) is a chemical compound with molecular formula C2Br2FN and molecular weight 214.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-2-fluoroacetonitrile
Also Known As: Dibromo fluoroacetonitrile, Dibromo(fluoro)acetonitrile, 2,2-dibromo-2-fluoroacetonitrile
| Molecular Formula | C2Br2FN |
|---|---|
| Molecular Weight | 214.84 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.83815 |
| Heavy Atoms | 6 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 6698-74-4 |
|---|---|
| SMILES | C(#N)C(F)(Br)Br |
| InChIKey | JFEAQFSERNFDSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibromo fluoroacetonitrile (CAS 6698-74-4), with molecular formula C2Br2FN and molecular weight 214.84 g/mol. IUPAC: 2,2-dibromo-2-fluoroacetonitrile.
Chemical Property Profile of Dibromo fluoroacetonitrile
Property Insights of Dibromo fluoroacetonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibromo fluoroacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Dibromo fluoroacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromo fluoroacetonitrile 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 Dibromo fluoroacetonitrile?
The CAS number of Dibromo fluoroacetonitrile is 6698-74-4.
What is the molecular formula of Dibromo fluoroacetonitrile?
The molecular formula of Dibromo fluoroacetonitrile is C2Br2FN.
What is the molecular weight of Dibromo fluoroacetonitrile?
The molecular weight of Dibromo fluoroacetonitrile is 214.84 g/mol.
Where can I buy Dibromo fluoroacetonitrile?
You can request a quote for Dibromo fluoroacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromo fluoroacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Dibromo fluoroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.