2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
TL;DR: 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile (CAS 175135-18-9) is a chemical compound with molecular formula C10H7FN2 and molecular weight 174.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(cyanomethyl)-2-fluorophenyl]acetonitrile
Also Known As: 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile, 1,3-Bis(cyanomethyl)-2-fluorobenzene, Maybridge1_003226, 2-[3-(cyanomethyl)-2-fluorophenyl]acetonitrile, 2-Fluorobenzene-1,3-diacetonitrile
| Molecular Formula | C10H7FN2 |
|---|---|
| Molecular Weight | 174.06 g/mol |
| LogP | 1.95786 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.05933 |
| Heavy Atoms | 13 |
| Complexity | 350.64172 |
Chemical Identifiers
| CAS Number | 175135-18-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)CC#N)F)CC#N |
Product Overview
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile (CAS 175135-18-9), with molecular formula C10H7FN2 and molecular weight 174.06 g/mol. IUPAC: 2-[3-(cyanomethyl)-2-fluorophenyl]acetonitrile.
Chemical Property Profile of 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
Property Insights of 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
The XLogP value of 1.95786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile 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'-(2-Fluoro-1,3-phenylene)diacetonitrile?
The CAS number of 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile is 175135-18-9.
What is the molecular formula of 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile?
The molecular formula of 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile is C10H7FN2.
What is the molecular weight of 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile?
The molecular weight of 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile is 174.06 g/mol.
Where can I buy 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile?
You can request a quote for 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.