3-(Trifluoromethyl)cyclohexanone
TL;DR: 3-(Trifluoromethyl)cyclohexanone (CAS 585-36-4) is a chemical compound with molecular formula C7H9F3O and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)cyclohexan-1-one
Also Known As: 3-(Trifluoromethyl)cyclohexanone, 3-(trifluoromethyl)cyclohexan-1-one, 3-trifluoromethylcyclohexanone, 3-trifluoromethyl-cyclohexanone, 3-Trifluormethyl-cyclohexanon
| Molecular Formula | C7H9F3O |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.308 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.06055 |
| Heavy Atoms | 11 |
| Complexity | 161.55885 |
Chemical Identifiers
| CAS Number | 585-36-4 |
|---|---|
| SMILES | C1CC(CC(=O)C1)C(F)(F)F |
Product Overview
3-(Trifluoromethyl)cyclohexanone (CAS 585-36-4), with molecular formula C7H9F3O and molecular weight 166.06 g/mol. IUPAC: 3-(trifluoromethyl)cyclohexan-1-one.
Chemical Property Profile of 3-(Trifluoromethyl)cyclohexanone
Property Insights of 3-(Trifluoromethyl)cyclohexanone
The XLogP value of 2.308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethyl)cyclohexanone. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(Trifluoromethyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)cyclohexanone 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 3-(Trifluoromethyl)cyclohexanone?
The CAS number of 3-(Trifluoromethyl)cyclohexanone is 585-36-4.
What is the molecular formula of 3-(Trifluoromethyl)cyclohexanone?
The molecular formula of 3-(Trifluoromethyl)cyclohexanone is C7H9F3O.
What is the molecular weight of 3-(Trifluoromethyl)cyclohexanone?
The molecular weight of 3-(Trifluoromethyl)cyclohexanone is 166.06 g/mol.
Where can I buy 3-(Trifluoromethyl)cyclohexanone?
You can request a quote for 3-(Trifluoromethyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.