1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
TL;DR: 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene (CAS 99903-40-9) is a chemical compound with molecular formula C6H2Cl2F6 and molecular weight 257.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
Also Known As: 1,1-dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene, 1,3-Pentadiene, 1,1-dichloro-5,5,5-trifluoro-4-(trifluoromethyl)-?
| Molecular Formula | C6H2Cl2F6 |
|---|---|
| Molecular Weight | 257.94 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.9438 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 99903-40-9 |
|---|---|
| SMILES | C(=C(C(F)(F)F)C(F)(F)F)C=C(Cl)Cl |
| InChIKey | QPYVYOTYEITEOS-UHFFFAOYSA-N |
Product Overview
1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene (CAS 99903-40-9), with molecular formula C6H2Cl2F6 and molecular weight 257.94 g/mol. IUPAC: 1,1-dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene.
Chemical Property Profile of 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
Property Insights of 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
The XLogP value of 4.9 indicates that 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene 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 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
The CAS number of 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene is 99903-40-9.
What is the molecular formula of 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
The molecular formula of 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene is C6H2Cl2F6.
What is the molecular weight of 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
The molecular weight of 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene is 257.94 g/mol.
Where can I buy 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
You can request a quote for 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloro-5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.