2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
TL;DR: 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CAS 4459-16-9) is a chemical compound with molecular formula C4ClF9 and molecular weight 253.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
Also Known As: C4ClF9, perfluoro-t-butyl chloride, Nonafluoro-tert-butyl chloride, 2-chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane, (2-Chloro)hexafluoro-2-(trifluoromethyl)propane
| Molecular Formula | C4ClF9 |
|---|---|
| Molecular Weight | 253.95 g/mol |
| LogP | 3.6509 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.95448 |
| Heavy Atoms | 14 |
| Complexity | 170.28342 |
Chemical Identifiers
| CAS Number | 4459-16-9 |
|---|---|
| SMILES | C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)Cl |
Product Overview
2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CAS 4459-16-9), with molecular formula C4ClF9 and molecular weight 253.95 g/mol. IUPAC: 2-chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
Chemical Property Profile of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
Property Insights of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
The XLogP value of 3.6509 indicates that 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane has 0 hydrogen bond donor(s) and 0 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-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The CAS number of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is 4459-16-9.
What is the molecular formula of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The molecular formula of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is C4ClF9.
What is the molecular weight of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The molecular weight of 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is 253.95 g/mol.
Where can I buy 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
You can request a quote for 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.