α-(三氟甲基)苯甲胺
TL;DR: α-(三氟甲基)苯甲胺 (CAS 51586-24-4) is a chemical compound with molecular formula C8H8F3N and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(三氟甲基)苯甲胺
2,2,2-trifluoro-1-phenylethanamine
Also Known As: 2,2,2-Trifluoro-1-phenylethylamine, 2,2,2-Trifluoro-1-phenylethanamine, null, 2,2,2-Trifluoro-1-phenyl-ethylamine, Tetraiodothiophene
| Molecular Formula | C8H8F3N |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06088 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 51586-24-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(F)(F)F)N |
| InChIKey | DZCAUMADOBDJJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-(三氟甲基)苯甲胺 (CAS 51586-24-4), with molecular formula C8H8F3N and molecular weight 175.06 g/mol. IUPAC: 2,2,2-trifluoro-1-phenylethanamine.
Chemical Property Profile of α-(三氟甲基)苯甲胺
Property Insights of α-(三氟甲基)苯甲胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-(三氟甲基)苯甲胺. With a topological polar surface area (TPSA) of 26.0 Ų, α-(三氟甲基)苯甲胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-(三氟甲基)苯甲胺 has 1 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 α-(三氟甲基)苯甲胺?
The CAS number of α-(三氟甲基)苯甲胺 is 51586-24-4.
What is the molecular formula of α-(三氟甲基)苯甲胺?
The molecular formula of α-(三氟甲基)苯甲胺 is C8H8F3N.
What is the molecular weight of α-(三氟甲基)苯甲胺?
The molecular weight of α-(三氟甲基)苯甲胺 is 175.06 g/mol.
Where can I buy α-(三氟甲基)苯甲胺?
You can request a quote for α-(三氟甲基)苯甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(三氟甲基)苯甲胺?
Yes, KEHONG BIO provides custom synthesis services for α-(三氟甲基)苯甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.