4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-
TL;DR: 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- (CAS 101913-92-2) is a chemical compound with molecular formula C9H11ClF6O and molecular weight 284.04025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-4-one
Also Known As: 2-chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-4-one, 2-Chloro-6-methyl-1,1,1-trifluoro-2-trifluroromethyl-4-heptanone, 4-HEPTANONE, 2-CHLORO-6-METHYL-1,1,1-TRIFLUORO-2-TRIFLUOROMETHYL-, 2-Chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)-4-heptanone, 2-Chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-4-heptanone
Technical Specifications
| Molecular Formula | C9H11ClF6O |
| Molecular Weight | 284.04025 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.04025 Da |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
| SMILES | CC(C)CC(=O)CC(C(F)(F)F)(C(F)(F)F)Cl |
| InChIKey | OQZHHNFWZUUXMV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-
Property Insights of 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-
The XLogP value of 3.8 indicates that 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- has 0 hydrogen bond donor(s) and 7 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, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-?
The CAS number of 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- is 101913-92-2.
What is the molecular formula of 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-?
The molecular formula of 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- is C9H11ClF6O.
What is the molecular weight of 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-?
The molecular weight of 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- is 284.04025 g/mol.
Where can I buy 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-?
You can request a quote for 4-Heptanone, 2-chloro-6-methyl-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, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-?
Yes, CoreyChem provides custom synthesis services for 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.