N-(2,2,2-三氟亚乙基)-1-金刚烷胺
TL;DR: N-(2,2,2-三氟亚乙基)-1-金刚烷胺 (CAS 31185-52-1) is a chemical compound with molecular formula C12H16F3N and molecular weight 231.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2,2-三氟亚乙基)-1-金刚烷胺
N-(1-adamantyl)-2,2,2-trifluoroethanimine
Also Known As: N-(2,2,2-Trifluoroethylidene)-1-adamantanamine, 1-Adamantanamine, N-(2,2,2-trifluoroethylidene)-, N-(1-adamantyl)-2,2,2-trifluoroethanimine, BRN 2731309
| Molecular Formula | C12H16F3N |
|---|---|
| Molecular Weight | 231.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.12349 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 31185-52-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N=CC(F)(F)F |
| InChIKey | XGEDZBBTGDETFW-UHFFFAOYSA-N |
Product Overview
N-(2,2,2-三氟亚乙基)-1-金刚烷胺 (CAS 31185-52-1), with molecular formula C12H16F3N and molecular weight 231.12 g/mol. IUPAC: N-(1-adamantyl)-2,2,2-trifluoroethanimine.
Chemical Property Profile of N-(2,2,2-三氟亚乙基)-1-金刚烷胺
Property Insights of N-(2,2,2-三氟亚乙基)-1-金刚烷胺
The XLogP value of 3.6 indicates that N-(2,2,2-三氟亚乙基)-1-金刚烷胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, N-(2,2,2-三氟亚乙基)-1-金刚烷胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2,2-三氟亚乙基)-1-金刚烷胺 has 0 hydrogen bond donor(s) and 4 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 N-(2,2,2-三氟亚乙基)-1-金刚烷胺?
The CAS number of N-(2,2,2-三氟亚乙基)-1-金刚烷胺 is 31185-52-1.
What is the molecular formula of N-(2,2,2-三氟亚乙基)-1-金刚烷胺?
The molecular formula of N-(2,2,2-三氟亚乙基)-1-金刚烷胺 is C12H16F3N.
What is the molecular weight of N-(2,2,2-三氟亚乙基)-1-金刚烷胺?
The molecular weight of N-(2,2,2-三氟亚乙基)-1-金刚烷胺 is 231.12 g/mol.
Where can I buy N-(2,2,2-三氟亚乙基)-1-金刚烷胺?
You can request a quote for N-(2,2,2-三氟亚乙基)-1-金刚烷胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2,2-三氟亚乙基)-1-金刚烷胺?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,2-三氟亚乙基)-1-金刚烷胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.