(4-Fluorophenyl)(morpholin-4-yl)acetonitrile
TL;DR: (4-Fluorophenyl)(morpholin-4-yl)acetonitrile (CAS 68415-10-1) is a chemical compound with molecular formula C12H13FN2O and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-2-morpholin-4-ylacetonitrile
Also Known As: Morpholino(4-fluorophenyl)acetonitrile, ASN 05515950, 1-cyano-(4-fluorophenyl)-1-morpholinomethane, alpha-Morpholino-4-fluorobenzeneacetonitrile, (4-fluorophenyl)(morpholin-4-yl)acetonitrile
| Molecular Formula | C12H13FN2O |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 1.72258 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.1012 |
| Heavy Atoms | 16 |
| Complexity | 379.0004 |
Chemical Identifiers
| CAS Number | 68415-10-1 |
|---|---|
| SMILES | C1COCCN1C(C#N)C2=CC=C(C=C2)F |
Product Overview
(4-Fluorophenyl)(morpholin-4-yl)acetonitrile (CAS 68415-10-1), with molecular formula C12H13FN2O and molecular weight 220.10 g/mol. IUPAC: 2-(4-fluorophenyl)-2-morpholin-4-ylacetonitrile.
Chemical Property Profile of (4-Fluorophenyl)(morpholin-4-yl)acetonitrile
Property Insights of (4-Fluorophenyl)(morpholin-4-yl)acetonitrile
The XLogP value of 1.72258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Fluorophenyl)(morpholin-4-yl)acetonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, (4-Fluorophenyl)(morpholin-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Fluorophenyl)(morpholin-4-yl)acetonitrile 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 (4-Fluorophenyl)(morpholin-4-yl)acetonitrile?
The CAS number of (4-Fluorophenyl)(morpholin-4-yl)acetonitrile is 68415-10-1.
What is the molecular formula of (4-Fluorophenyl)(morpholin-4-yl)acetonitrile?
The molecular formula of (4-Fluorophenyl)(morpholin-4-yl)acetonitrile is C12H13FN2O.
What is the molecular weight of (4-Fluorophenyl)(morpholin-4-yl)acetonitrile?
The molecular weight of (4-Fluorophenyl)(morpholin-4-yl)acetonitrile is 220.10 g/mol.
Where can I buy (4-Fluorophenyl)(morpholin-4-yl)acetonitrile?
You can request a quote for (4-Fluorophenyl)(morpholin-4-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluorophenyl)(morpholin-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluorophenyl)(morpholin-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.