![1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane structure](/static/products/126/1269775-42-9.webp)
1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane
TL;DR: 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane (CAS 1269775-42-9) is a chemical compound with molecular formula C11H14F3N3 and molecular weight 245.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
Also Known As: 1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, 1-[5-(Trifluoromethyl)Pyrid-2-Yl]-1,4-Diazepane, 1-(5-(Trifluoromethyl)pyridin-2-yl)-1,4-diazepane, 1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane, 2-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
Technical Specifications
| Molecular Formula | C11H14F3N3 |
| Molecular Weight | 245.11398 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.11398 Da |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
| SMILES | C1CNCCN(C1)C2=NC=C(C=C2)C(F)(F)F |
| InChIKey | IBMSHQVIAUTKDL-UHFFFAOYSA-N |
Chemical Property Profile of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane
Property Insights of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane. With a topological polar surface area (TPSA) of 28.2 Ų, 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane?
The CAS number of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane is 1269775-42-9.
What is the molecular formula of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane?
The molecular formula of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane is C11H14F3N3.
What is the molecular weight of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane?
The molecular weight of 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane is 245.11398 g/mol.
Where can I buy 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane?
You can request a quote for 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane?
Yes, CoreyChem provides custom synthesis services for 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.