![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 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C11H10F2O |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.5785 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.06998 |
| Heavy Atoms | 14 |
| Complexity | 390.74878 |
Chemical Identifiers
| CAS Number | 117389-49-8 |
|---|---|
| SMILES | C1C2C3C4C1C5C2C(=O)C3C4C5(F)F |
Product Overview
11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one (CAS 117389-49-8), with molecular formula C11H10F2O and molecular weight 196.07 g/mol. IUPAC: 11,11-difluoropentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.
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 1.5785 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 17.07 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 1 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 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 196.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,11-Difluoropentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-one?
Yes, KEHONG BIO 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.