1-(Azepan-1-yl)-2,2,2-trifluoroethanone
TL;DR: 1-(Azepan-1-yl)-2,2,2-trifluoroethanone (CAS 332032-05-0) is a chemical compound with molecular formula C8H12F3NO and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2,2,2-trifluoroethanone
Also Known As: 1-(azepan-1-yl)-2,2,2-trifluoroethanone, 1-(1-Azepanyl)-2,2,2-Trifluoroethanone, 1-(azepan-1-yl)-2,2,2-trifluoro-ethanone, 1H-AZEPINE, HEXAHYDRO-1-(TRIFLUOROACETYL)-, 1-(azepan-1-yl)-2,2,2-trifluoroethan-1-one
| Molecular Formula | C8H12F3NO |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.9513 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.0871 |
| Heavy Atoms | 13 |
| Complexity | 182.31839 |
Chemical Identifiers
| CAS Number | 332032-05-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C(F)(F)F |
Product Overview
1-(Azepan-1-yl)-2,2,2-trifluoroethanone (CAS 332032-05-0), with molecular formula C8H12F3NO and molecular weight 195.09 g/mol. IUPAC: 1-(azepan-1-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2,2,2-trifluoroethanone
Property Insights of 1-(Azepan-1-yl)-2,2,2-trifluoroethanone
The XLogP value of 1.9513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Azepan-1-yl)-2,2,2-trifluoroethanone. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(Azepan-1-yl)-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2,2,2-trifluoroethanone 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 1-(Azepan-1-yl)-2,2,2-trifluoroethanone?
The CAS number of 1-(Azepan-1-yl)-2,2,2-trifluoroethanone is 332032-05-0.
What is the molecular formula of 1-(Azepan-1-yl)-2,2,2-trifluoroethanone?
The molecular formula of 1-(Azepan-1-yl)-2,2,2-trifluoroethanone is C8H12F3NO.
What is the molecular weight of 1-(Azepan-1-yl)-2,2,2-trifluoroethanone?
The molecular weight of 1-(Azepan-1-yl)-2,2,2-trifluoroethanone is 195.09 g/mol.
Where can I buy 1-(Azepan-1-yl)-2,2,2-trifluoroethanone?
You can request a quote for 1-(Azepan-1-yl)-2,2,2-trifluoroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2,2,2-trifluoroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.