1-Benzyl-2-(trifluoromethyl)aziridine
TL;DR: 1-Benzyl-2-(trifluoromethyl)aziridine (CAS 106241-07-0) is a chemical compound with molecular formula C10H10F3N and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(trifluoromethyl)aziridine
Also Known As: 1-Benzyl-2-(trifluoromethyl)aziridine, 1-benzyl-2-trifluoromethylaziridine, Aziridine, 1-(phenylmethyl)-2-(trifluoromethyl)-, N-benzyl-1-methylsulfinylprop-1-en-2-amine, J1.208.870A
| Molecular Formula | C10H10F3N |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07654 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 106241-07-0 |
|---|---|
| SMILES | C1C(N1CC2=CC=CC=C2)C(F)(F)F |
| InChIKey | FXTYNGNFIMWUGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-2-(trifluoromethyl)aziridine (CAS 106241-07-0), with molecular formula C10H10F3N and molecular weight 201.08 g/mol. IUPAC: 1-benzyl-2-(trifluoromethyl)aziridine.
Chemical Property Profile of 1-Benzyl-2-(trifluoromethyl)aziridine
Property Insights of 1-Benzyl-2-(trifluoromethyl)aziridine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2-(trifluoromethyl)aziridine. With a topological polar surface area (TPSA) of 3.0 Ų, 1-Benzyl-2-(trifluoromethyl)aziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-(trifluoromethyl)aziridine 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 1-Benzyl-2-(trifluoromethyl)aziridine?
The CAS number of 1-Benzyl-2-(trifluoromethyl)aziridine is 106241-07-0.
What is the molecular formula of 1-Benzyl-2-(trifluoromethyl)aziridine?
The molecular formula of 1-Benzyl-2-(trifluoromethyl)aziridine is C10H10F3N.
What is the molecular weight of 1-Benzyl-2-(trifluoromethyl)aziridine?
The molecular weight of 1-Benzyl-2-(trifluoromethyl)aziridine is 201.08 g/mol.
Where can I buy 1-Benzyl-2-(trifluoromethyl)aziridine?
You can request a quote for 1-Benzyl-2-(trifluoromethyl)aziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-(trifluoromethyl)aziridine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-(trifluoromethyl)aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.