2-(2-Chloro-6-fluorobenzyl)malononitrile
TL;DR: 2-(2-Chloro-6-fluorobenzyl)malononitrile (CAS 338965-15-4) is a chemical compound with molecular formula C10H6ClFN2 and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methyl]propanedinitrile
Also Known As: 2-(2-Chloro-6-fluorobenzyl)malononitrile, 2-[(2-chloro-6-fluorophenyl)methyl]propanedinitrile, chlorofluorobenzylmalononitrile, 6K-018, 2-[(2-chloro-6-fluoro-phenyl)methyl]propanedinitrile
| Molecular Formula | C10H6ClFN2 |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 2.68496 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.02036 |
| Heavy Atoms | 14 |
| Complexity | 382.86066 |
Chemical Identifiers
| CAS Number | 338965-15-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CC(C#N)C#N)F |
Product Overview
2-(2-Chloro-6-fluorobenzyl)malononitrile (CAS 338965-15-4), with molecular formula C10H6ClFN2 and molecular weight 208.02 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-(2-Chloro-6-fluorobenzyl)malononitrile
Property Insights of 2-(2-Chloro-6-fluorobenzyl)malononitrile
The XLogP value of 2.68496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloro-6-fluorobenzyl)malononitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2-(2-Chloro-6-fluorobenzyl)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-6-fluorobenzyl)malononitrile 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 2-(2-Chloro-6-fluorobenzyl)malononitrile?
The CAS number of 2-(2-Chloro-6-fluorobenzyl)malononitrile is 338965-15-4.
What is the molecular formula of 2-(2-Chloro-6-fluorobenzyl)malononitrile?
The molecular formula of 2-(2-Chloro-6-fluorobenzyl)malononitrile is C10H6ClFN2.
What is the molecular weight of 2-(2-Chloro-6-fluorobenzyl)malononitrile?
The molecular weight of 2-(2-Chloro-6-fluorobenzyl)malononitrile is 208.02 g/mol.
Where can I buy 2-(2-Chloro-6-fluorobenzyl)malononitrile?
You can request a quote for 2-(2-Chloro-6-fluorobenzyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-6-fluorobenzyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-6-fluorobenzyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.