1-Benzyl-3-(trifluoroacetamido)pyrrolidine
TL;DR: 1-Benzyl-3-(trifluoroacetamido)pyrrolidine (CAS 115445-65-3) is a chemical compound with molecular formula C13H15F3N2O and molecular weight 272.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
Also Known As: 1-Benzyl-3-(trifluoroacetamido)pyrrolidine, N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide, 9568AC, 1-Benzyl-3-(trifluoroacetylamino)pyrrolidine, Acetamide, 2,2,2-trifluoro-N-[1-(phenylmethyl)-3-pyrrolidinyl]-
| Molecular Formula | C13H15F3N2O |
|---|---|
| Molecular Weight | 272.11 g/mol |
| LogP | 1.9394 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.11365 |
| Heavy Atoms | 19 |
| Complexity | 433.26453 |
Chemical Identifiers
| CAS Number | 115445-65-3 |
|---|---|
| SMILES | C1CN(CC1NC(=O)C(F)(F)F)CC2=CC=CC=C2 |
Product Overview
1-Benzyl-3-(trifluoroacetamido)pyrrolidine (CAS 115445-65-3), with molecular formula C13H15F3N2O and molecular weight 272.11 g/mol. IUPAC: N-(1-benzylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of 1-Benzyl-3-(trifluoroacetamido)pyrrolidine
Property Insights of 1-Benzyl-3-(trifluoroacetamido)pyrrolidine
The XLogP value of 1.9394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-(trifluoroacetamido)pyrrolidine. With a topological polar surface area (TPSA) of 32.34 Ų, 1-Benzyl-3-(trifluoroacetamido)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(trifluoroacetamido)pyrrolidine has 1 hydrogen bond donor(s) and 2 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-3-(trifluoroacetamido)pyrrolidine?
The CAS number of 1-Benzyl-3-(trifluoroacetamido)pyrrolidine is 115445-65-3.
What is the molecular formula of 1-Benzyl-3-(trifluoroacetamido)pyrrolidine?
The molecular formula of 1-Benzyl-3-(trifluoroacetamido)pyrrolidine is C13H15F3N2O.
What is the molecular weight of 1-Benzyl-3-(trifluoroacetamido)pyrrolidine?
The molecular weight of 1-Benzyl-3-(trifluoroacetamido)pyrrolidine is 272.11 g/mol.
Where can I buy 1-Benzyl-3-(trifluoroacetamido)pyrrolidine?
You can request a quote for 1-Benzyl-3-(trifluoroacetamido)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(trifluoroacetamido)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(trifluoroacetamido)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.