三氟乙腈
TL;DR: 三氟乙腈 (CAS 353-85-5) is a chemical compound with molecular formula C2F3N and molecular weight 95.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟乙腈
2,2,2-trifluoroacetonitrile
Also Known As: Trifluoroacetonitrile, Cyanotrifluoromethane, Acetonitrile, trifluoro-, 2,2,2-trifluoroacetonitrile, trifluoroethanenitrile
| Molecular Formula | C2F3N |
|---|---|
| Molecular Weight | 95.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.99828 |
| Heavy Atoms | 6 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 353-85-5 |
|---|---|
| SMILES | C(#N)C(F)(F)F |
| InChIKey | SFFUEHODRAXXIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟乙腈 (CAS 353-85-5), with molecular formula C2F3N and molecular weight 95.00 g/mol. IUPAC: 2,2,2-trifluoroacetonitrile.
Chemical Property Profile of 三氟乙腈
Property Insights of 三氟乙腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 三氟乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟乙腈 has 0 hydrogen bond donor(s) and 4 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 三氟乙腈?
The CAS number of 三氟乙腈 is 353-85-5.
What is the molecular formula of 三氟乙腈?
The molecular formula of 三氟乙腈 is C2F3N.
What is the molecular weight of 三氟乙腈?
The molecular weight of 三氟乙腈 is 95.00 g/mol.
Where can I buy 三氟乙腈?
You can request a quote for 三氟乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟乙腈?
Yes, KEHONG BIO provides custom synthesis services for 三氟乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.