(2,6-二氟苯基)乙腈
TL;DR: (2,6-二氟苯基)乙腈 (CAS 654-01-3) is a chemical compound with molecular formula C8H5F2N and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-二氟苯基)乙腈
2-(2,6-difluorophenyl)acetonitrile
Also Known As: 2,6-Difluorophenylacetonitrile, 2-(2,6-difluorophenyl)acetonitrile, 2,6-difluorobenzyl cyanide, (2,6-Difluorophenyl)acetonitrile, N-Dodecyl-beta-maltoside
| Molecular Formula | C8H5F2N |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.039 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 654-01-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)CC#N)F |
| InChIKey | GVAYBGQTAADLJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,6-二氟苯基)乙腈 (CAS 654-01-3), with molecular formula C8H5F2N and molecular weight 153.04 g/mol. IUPAC: 2-(2,6-difluorophenyl)acetonitrile.
Chemical Property Profile of (2,6-二氟苯基)乙腈
Property Insights of (2,6-二氟苯基)乙腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-二氟苯基)乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, (2,6-二氟苯基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6-二氟苯基)乙腈 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 (2,6-二氟苯基)乙腈?
The CAS number of (2,6-二氟苯基)乙腈 is 654-01-3.
What is the molecular formula of (2,6-二氟苯基)乙腈?
The molecular formula of (2,6-二氟苯基)乙腈 is C8H5F2N.
What is the molecular weight of (2,6-二氟苯基)乙腈?
The molecular weight of (2,6-二氟苯基)乙腈 is 153.04 g/mol.
Where can I buy (2,6-二氟苯基)乙腈?
You can request a quote for (2,6-二氟苯基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-二氟苯基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for (2,6-二氟苯基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.