1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile
TL;DR: 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile (CAS 214262-94-9) is a chemical compound with molecular formula C12H11ClFN and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile
Also Known As: 1-(2-CHLORO-6-FLUOROPHENYL)CYCLOPENTANECARBONITRILE, 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile, Cyclopentanecarbonitrile, 1-(2-chloro-6-fluorophenyl)-, 1-(6-chloro-2-fluorophenyl)cyclopentanecarbonitrile, 1-(2-chloro-6-fluoro-phenyl)cyclopentanecarbonitrile
| Molecular Formula | C12H11ClFN |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.05641 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 214262-94-9 |
|---|---|
| SMILES | C1CCC(C1)(C#N)C2=C(C=CC=C2Cl)F |
| InChIKey | KIROJLODCPJLTM-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile (CAS 214262-94-9), with molecular formula C12H11ClFN and molecular weight 223.06 g/mol. IUPAC: 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile
Property Insights of 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile
The XLogP value of 3.7 indicates that 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile 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 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile?
The CAS number of 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile is 214262-94-9.
What is the molecular formula of 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile?
The molecular formula of 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile is C12H11ClFN.
What is the molecular weight of 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile?
The molecular weight of 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile is 223.06 g/mol.
Where can I buy 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile?
You can request a quote for 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-6-fluorophenyl)cyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.