3-Fluoro-4-(morpholin-4-yl)benzonitrile
TL;DR: 3-Fluoro-4-(morpholin-4-yl)benzonitrile (CAS 588708-64-9) is a chemical compound with molecular formula C11H11FN2O and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-4-morpholin-4-ylbenzonitrile
Also Known As: 3-fluoro-4-(morpholin-4-yl)benzonitrile, 3-fluoro-4-morpholinobenzonitrile, 3-fluoro-4-morpholin-4-ylbenzonitrile, 3-fluoro-4-morpholino-benzonitrile, 3-Fluoro-4-morpholin-4-yl-benzonitrile
| Molecular Formula | C11H11FN2O |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.53398 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.08554 |
| Heavy Atoms | 15 |
| Complexity | 394.06467 |
Chemical Identifiers
| CAS Number | 588708-64-9 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)C#N)F |
Product Overview
3-Fluoro-4-(morpholin-4-yl)benzonitrile (CAS 588708-64-9), with molecular formula C11H11FN2O and molecular weight 206.09 g/mol. IUPAC: 3-fluoro-4-morpholin-4-ylbenzonitrile.
Chemical Property Profile of 3-Fluoro-4-(morpholin-4-yl)benzonitrile
Property Insights of 3-Fluoro-4-(morpholin-4-yl)benzonitrile
The XLogP value of 1.53398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-(morpholin-4-yl)benzonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, 3-Fluoro-4-(morpholin-4-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-(morpholin-4-yl)benzonitrile 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 3-Fluoro-4-(morpholin-4-yl)benzonitrile?
The CAS number of 3-Fluoro-4-(morpholin-4-yl)benzonitrile is 588708-64-9.
What is the molecular formula of 3-Fluoro-4-(morpholin-4-yl)benzonitrile?
The molecular formula of 3-Fluoro-4-(morpholin-4-yl)benzonitrile is C11H11FN2O.
What is the molecular weight of 3-Fluoro-4-(morpholin-4-yl)benzonitrile?
The molecular weight of 3-Fluoro-4-(morpholin-4-yl)benzonitrile is 206.09 g/mol.
Where can I buy 3-Fluoro-4-(morpholin-4-yl)benzonitrile?
You can request a quote for 3-Fluoro-4-(morpholin-4-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-(morpholin-4-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-(morpholin-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.