![5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one structure](/static/products/1004/100445-52-1.webp)
5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one
TL;DR: 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one (CAS 100445-52-1) is a chemical compound with molecular formula C15H16F3NO and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one
Also Known As: 5,5-dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one, 5,5-dimethyl-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one, J1.316.885G, 5,5-DIMETHYL-3-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONE, A1563/0068102
| Molecular Formula | C15H16F3NO |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.1184 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 100445-52-1 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC=CC(=C2)C(F)(F)F)C |
| InChIKey | MDYIVHKCHZGEHV-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one (CAS 100445-52-1), with molecular formula C15H16F3NO and molecular weight 283.12 g/mol. IUPAC: 5,5-dimethyl-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one
Property Insights of 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one
The XLogP value of 3.9 indicates that 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 5 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 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one?
The CAS number of 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one is 100445-52-1.
What is the molecular formula of 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one?
The molecular formula of 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one is C15H16F3NO.
What is the molecular weight of 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one?
The molecular weight of 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one is 283.12 g/mol.
Where can I buy 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one?
You can request a quote for 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.