2,2,3,3,3-五氟丙腈
TL;DR: 2,2,3,3,3-五氟丙腈 (CAS 422-04-8) is a chemical compound with molecular formula C3F5N and molecular weight 145.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,3-五氟丙腈
2,2,3,3,3-pentafluoropropanenitrile
Also Known As: Pentafluoropropionitrile, Bepotastine, pentafluoropropanenitrile, Pentafluoropropiononitrile, Propanenitrile, pentafluoro-
| Molecular Formula | C3F5N |
|---|---|
| Molecular Weight | 145.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.99509 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 422-04-8 |
|---|---|
| SMILES | C(#N)C(C(F)(F)F)(F)F |
| InChIKey | MTLOQUGSPBVZEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3,3,3-五氟丙腈 (CAS 422-04-8), with molecular formula C3F5N and molecular weight 145.00 g/mol. IUPAC: 2,2,3,3,3-pentafluoropropanenitrile.
Chemical Property Profile of 2,2,3,3,3-五氟丙腈
Property Insights of 2,2,3,3,3-五氟丙腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3,3,3-五氟丙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2,3,3,3-五氟丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,3-五氟丙腈 has 0 hydrogen bond donor(s) and 6 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 2,2,3,3,3-五氟丙腈?
The CAS number of 2,2,3,3,3-五氟丙腈 is 422-04-8.
What is the molecular formula of 2,2,3,3,3-五氟丙腈?
The molecular formula of 2,2,3,3,3-五氟丙腈 is C3F5N.
What is the molecular weight of 2,2,3,3,3-五氟丙腈?
The molecular weight of 2,2,3,3,3-五氟丙腈 is 145.00 g/mol.
Where can I buy 2,2,3,3,3-五氟丙腈?
You can request a quote for 2,2,3,3,3-五氟丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,3-五氟丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,3-五氟丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.