2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate
TL;DR: 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate (CAS 17447-59-5) is a chemical compound with molecular formula C9H6Cl2F3NO2 and molecular weight 286.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate
Also Known As: 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate, 2,2,2-trifluoroethyl 3,4-dichlorophenylcarbamate, 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate, Carbamic acid, (3,4-dichlorophenyl)-, 2,2,2-trifluoroethyl ester (9CI), 2,2,2-Trifluoroethyl(3,4-dichlorophenyl)carbamate
| Molecular Formula | C9H6Cl2F3NO2 |
|---|---|
| Molecular Weight | 286.97 g/mol |
| LogP | 4.1042 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.97278 |
| Heavy Atoms | 17 |
| Complexity | 423.19226 |
Chemical Identifiers
| CAS Number | 17447-59-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)OCC(F)(F)F)Cl)Cl |
Product Overview
2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate (CAS 17447-59-5), with molecular formula C9H6Cl2F3NO2 and molecular weight 286.97 g/mol. IUPAC: 2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate.
Chemical Property Profile of 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate
Property Insights of 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate
The XLogP value of 4.1042 indicates that 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate 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 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate?
The CAS number of 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate is 17447-59-5.
What is the molecular formula of 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate?
The molecular formula of 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate is C9H6Cl2F3NO2.
What is the molecular weight of 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate?
The molecular weight of 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate is 286.97 g/mol.
Where can I buy 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate?
You can request a quote for 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.