1,2-Dichloro-3,3-difluorobutane
TL;DR: 1,2-Dichloro-3,3-difluorobutane (CAS 381-85-1) is a chemical compound with molecular formula C4H6Cl2F2 and molecular weight 161.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-3,3-difluorobutane
Also Known As: 1,2-dichloro-3,3-difluorobutane, Butane, 3,4-dichloro-2,2-difluoro-, 1,2-dichloro-3,3-difluoro-butane, BUTANE, 1,2-DICHLORO-3,3-DIFLUORO-, 3-01-00-00284 (Beilstein Handbook Reference)
| Molecular Formula | C4H6Cl2F2 |
|---|---|
| Molecular Weight | 161.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.98146 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 381-85-1 |
|---|---|
| SMILES | CC(C(CCl)Cl)(F)F |
| InChIKey | LFLJVJVWIWKUGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dichloro-3,3-difluorobutane (CAS 381-85-1), with molecular formula C4H6Cl2F2 and molecular weight 161.98 g/mol. IUPAC: 1,2-dichloro-3,3-difluorobutane.
Chemical Property Profile of 1,2-Dichloro-3,3-difluorobutane
Property Insights of 1,2-Dichloro-3,3-difluorobutane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dichloro-3,3-difluorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-Dichloro-3,3-difluorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-3,3-difluorobutane has 0 hydrogen bond donor(s) and 2 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 1,2-Dichloro-3,3-difluorobutane?
The CAS number of 1,2-Dichloro-3,3-difluorobutane is 381-85-1.
What is the molecular formula of 1,2-Dichloro-3,3-difluorobutane?
The molecular formula of 1,2-Dichloro-3,3-difluorobutane is C4H6Cl2F2.
What is the molecular weight of 1,2-Dichloro-3,3-difluorobutane?
The molecular weight of 1,2-Dichloro-3,3-difluorobutane is 161.98 g/mol.
Where can I buy 1,2-Dichloro-3,3-difluorobutane?
You can request a quote for 1,2-Dichloro-3,3-difluorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-3,3-difluorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-3,3-difluorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.