RefChem:1066510
TL;DR: RefChem:1066510 (CAS 101913-82-0) is a chemical compound with molecular formula C11H9ClF12O3 and molecular weight 452.00485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one
Also Known As: NCI60_022175, 2,6-Bis(trifluoromethyl)-3-(2-chloroethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-4-heptanone, 3-(2-chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one, 4-Heptanone, 2,6-bis(trifluoromethyl)-3-(2-chloroethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, 3-(2-Chloroethyl)-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone
Technical Specifications
| Molecular Formula | C11H9ClF12O3 |
| Molecular Weight | 452.00485 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.00485 Da |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
| SMILES | C(CCl)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | KCSCCVGBCPYEOH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1066510
Property Insights of RefChem:1066510
The XLogP value of 3.7 indicates that RefChem:1066510 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, RefChem:1066510 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066510 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1066510?
The CAS number of RefChem:1066510 is 101913-82-0.
What is the molecular formula of RefChem:1066510?
The molecular formula of RefChem:1066510 is C11H9ClF12O3.
What is the molecular weight of RefChem:1066510?
The molecular weight of RefChem:1066510 is 452.00485 g/mol.
Where can I buy RefChem:1066510?
You can request a quote for RefChem:1066510 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1066510?
Yes, CoreyChem provides custom synthesis services for RefChem:1066510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.