Acetonitrile, difluoro-
TL;DR: Acetonitrile, difluoro- (CAS 359-12-6) is a chemical compound with molecular formula C2HF2N and molecular weight 77.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoroacetonitrile
Also Known As: Difluoroacetonitrile, 2,2-difluoroacetonitrile, Acetonitrile, difluoro-, 2,2-difluoroethanenitrile, DIFLUORO ACETONITRILE
| Molecular Formula | C2HF2N |
|---|---|
| Molecular Weight | 77.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 77.007706 |
| Heavy Atoms | 5 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 359-12-6 |
|---|---|
| SMILES | C(#N)C(F)F |
| InChIKey | DQFXLCKTFSDWHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetonitrile, difluoro- (CAS 359-12-6), with molecular formula C2HF2N and molecular weight 77.01 g/mol. IUPAC: 2,2-difluoroacetonitrile.
Chemical Property Profile of Acetonitrile, difluoro-
Property Insights of Acetonitrile, difluoro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, difluoro-. With a topological polar surface area (TPSA) of 23.8 Ų, Acetonitrile, difluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, difluoro- 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 Acetonitrile, difluoro-?
The CAS number of Acetonitrile, difluoro- is 359-12-6.
What is the molecular formula of Acetonitrile, difluoro-?
The molecular formula of Acetonitrile, difluoro- is C2HF2N.
What is the molecular weight of Acetonitrile, difluoro-?
The molecular weight of Acetonitrile, difluoro- is 77.01 g/mol.
Where can I buy Acetonitrile, difluoro-?
You can request a quote for Acetonitrile, difluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, difluoro-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, difluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.