![11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one structure](/static/products/1173/117389-49-8.webp)
11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one
TL;DR: 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one (CAS 117389-49-8) is a chemical compound with molecular formula C11H10F2O and molecular weight 196.06998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11,11-difluoropentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
Also Known As: 11,11-difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one, 11,11-Difluoropentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one, 5,5-Difluorooctahydro-1H-2,4,1-(epiethane[1,1,2]triyl)cyclobuta[cd]pentalen-7-one
Technical Specifications
| Molecular Formula | C11H10F2O |
| Molecular Weight | 196.06998 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.06998 Da |
| Heavy Atoms | 14 |
| Complexity | 391.0 |
| SMILES | C1C2C3C4C1C5C2C(=O)C3C4C5(F)F |
| InChIKey | CYHPNDXJYYGKOV-UHFFFAOYSA-N |
Chemical Property Profile of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one
Property Insights of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one. With a topological polar surface area (TPSA) of 17.1 Ų, 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one?
The CAS number of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one is 117389-49-8.
What is the molecular formula of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one?
The molecular formula of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one is C11H10F2O.
What is the molecular weight of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one?
The molecular weight of 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one is 196.06998 g/mol.
Where can I buy 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one?
You can request a quote for 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one?
Yes, CoreyChem provides custom synthesis services for 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.