2,2-Difluoro-5-hexyne-1,4-diamine
TL;DR: 2,2-Difluoro-5-hexyne-1,4-diamine (CAS 120983-27-9) is a chemical compound with molecular formula C6H10F2N2 and molecular weight 148.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluorohex-5-yne-1,4-diamine
Also Known As: 2,2-difluorohex-5-yne-1,4-diamine, 2,2-Difluoro-5-hexyne-1,4-diamine, 1,4-diamino-2,2-difluoro-hex-5-yne, 5-Hexyne-1,4-diamine,2,2-difluoro-, 5-Hexyne-1,4-diamine,2,2-difluoro
| Molecular Formula | C6H10F2N2 |
|---|---|
| Molecular Weight | 148.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.0812 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 120983-27-9 |
|---|---|
| SMILES | C#CC(CC(CN)(F)F)N |
| InChIKey | QSJHCTOZEMYUJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Difluoro-5-hexyne-1,4-diamine (CAS 120983-27-9), with molecular formula C6H10F2N2 and molecular weight 148.08 g/mol. IUPAC: 2,2-difluorohex-5-yne-1,4-diamine.
Chemical Property Profile of 2,2-Difluoro-5-hexyne-1,4-diamine
Property Insights of 2,2-Difluoro-5-hexyne-1,4-diamine
The XLogP value of -0.5 indicates that 2,2-Difluoro-5-hexyne-1,4-diamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, 2,2-Difluoro-5-hexyne-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-5-hexyne-1,4-diamine has 2 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 2,2-Difluoro-5-hexyne-1,4-diamine?
The CAS number of 2,2-Difluoro-5-hexyne-1,4-diamine is 120983-27-9.
What is the molecular formula of 2,2-Difluoro-5-hexyne-1,4-diamine?
The molecular formula of 2,2-Difluoro-5-hexyne-1,4-diamine is C6H10F2N2.
What is the molecular weight of 2,2-Difluoro-5-hexyne-1,4-diamine?
The molecular weight of 2,2-Difluoro-5-hexyne-1,4-diamine is 148.08 g/mol.
Where can I buy 2,2-Difluoro-5-hexyne-1,4-diamine?
You can request a quote for 2,2-Difluoro-5-hexyne-1,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Difluoro-5-hexyne-1,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-5-hexyne-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.