4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-
TL;DR: 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- (CAS 101913-91-1) is a chemical compound with molecular formula C8H9ClF6O2 and molecular weight 286.01953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)heptan-4-one
Also Known As: 7-chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)heptan-4-one, 4-HEPTANONE, 7-CHLORO-2-HYDROXY-1,1,1-TRIFLUORO-2-TRIFLUOROMETHYL-, 7-Chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-4-heptanone, 4-Heptanone, 7-chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C8H9ClF6O2 |
| Molecular Weight | 286.01953 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.01953 Da |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| SMILES | C(CC(=O)CC(C(F)(F)F)(C(F)(F)F)O)CCl |
| InChIKey | ARMZHMFYYMRUOR-UHFFFAOYSA-N |
Chemical Property Profile of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-
Property Insights of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-?
The CAS number of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- is 101913-91-1.
What is the molecular formula of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-?
The molecular formula of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- is C8H9ClF6O2.
What is the molecular weight of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-?
The molecular weight of 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- is 286.01953 g/mol.
Where can I buy 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-?
You can request a quote for 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl-?
Yes, CoreyChem provides custom synthesis services for 4-Heptanone, 7-chloro-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.