Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
TL;DR: Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- (CAS 54815-09-7) is a chemical compound with molecular formula C11H12F3N and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine
Also Known As: 1,1,1-trifluoro-N-phenethylpropan-2-imine, Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-, N-(2,2,2-Trifluoro-1-methylethylidene)benzeneethanamine, (2-phenylethyl)(1,1,1-trifluoropropan-2-ylidene)amine, 2-Phenyl-N-[(E)-2,2,2-trifluoro-1-methylethylidene]ethanamine #
| Molecular Formula | C11H12F3N |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.09218 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 54815-09-7 |
|---|---|
| SMILES | CC(=NCCC1=CC=CC=C1)C(F)(F)F |
| InChIKey | RDDQZOCSVHYCJM-UHFFFAOYSA-N |
Product Overview
Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- (CAS 54815-09-7), with molecular formula C11H12F3N and molecular weight 215.09 g/mol. IUPAC: 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine.
Chemical Property Profile of Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
Property Insights of Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
The XLogP value of 3.1 indicates that Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- 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 Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-?
The CAS number of Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- is 54815-09-7.
What is the molecular formula of Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-?
The molecular formula of Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- is C11H12F3N.
What is the molecular weight of Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-?
The molecular weight of Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- is 215.09 g/mol.
Where can I buy Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-?
You can request a quote for Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.