N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide (CAS 85575-56-0) is a chemical compound with molecular formula C9H6F3NO3 and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide
Also Known As: N-TRIFLUOROACETYL-3,4-(METHYLENEDIOXY)ANILINE, N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide, N-(2H-1,3-Benzodioxol-5-yl)-2,2,2-trifluoroacetamide, Acetamide, N-1,3-benzodioxol-5-yl-2,2,2-trifluoro-, N-1,3-Benzodioxol-5-yl-2,2,2-trifluoro-acetamide
| Molecular Formula | C9H6F3NO3 |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 1.9161 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.02998 |
| Heavy Atoms | 16 |
| Complexity | 430.49765 |
Chemical Identifiers
| CAS Number | 85575-56-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C(F)(F)F |
Product Overview
N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide (CAS 85575-56-0), with molecular formula C9H6F3NO3 and molecular weight 233.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide
The XLogP value of 1.9161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide has 1 hydrogen bond donor(s) and 3 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-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide is 85575-56-0.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide is C9H6F3NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide is 233.03 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.