N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide
TL;DR: N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide (CAS 667-82-3) is a chemical compound with molecular formula C6H8Cl2F3NO and molecular weight 236.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2,2,2-trifluoroacetamide
Also Known As: N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide, Trifluoroacetamide, N,N-di(2-chloroethyl)-, Acetamide,N-bis(2-chloroethyl)-2,2,2-trifluoro-, Acetamide, N,N-bis(2-chloroethyl)-2,2,2-trifluoro-, N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide #
| Molecular Formula | C6H8Cl2F3NO |
|---|---|
| Molecular Weight | 236.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.9935 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 667-82-3 |
|---|---|
| SMILES | C(CCl)N(CCCl)C(=O)C(F)(F)F |
| InChIKey | DXKDSKVIFCHOSI-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide (CAS 667-82-3), with molecular formula C6H8Cl2F3NO and molecular weight 236.99 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide
Property Insights of N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 20.3 Ų, N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide 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 N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide?
The CAS number of N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide is 667-82-3.
What is the molecular formula of N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide?
The molecular formula of N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide is C6H8Cl2F3NO.
What is the molecular weight of N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide?
The molecular weight of N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide is 236.99 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide?
You can request a quote for N,N-Bis(2-chloroethyl)-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,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.