N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯
TL;DR: N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 (CAS 71999-74-1) is a chemical compound with molecular formula C5H7ClF3NO2 and molecular weight 205.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯
2,2,2-trifluoroethyl N-(2-chloroethyl)carbamate
Also Known As: 2,2,2-trifluoroethyl N-(2-chloroethyl)carbamate, Tert-butyl N-(2-chloroethyl)carbamate, 2,2,2-trifluoroethylN-(2-chloroethyl)carbamate
| Molecular Formula | C5H7ClF3NO2 |
|---|---|
| Molecular Weight | 205.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.01173 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 71999-74-1 |
|---|---|
| SMILES | C(CCl)NC(=O)OCC(F)(F)F |
| InChIKey | ANATVRZRQDTQDO-UHFFFAOYSA-N |
Product Overview
N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 (CAS 71999-74-1), with molecular formula C5H7ClF3NO2 and molecular weight 205.01 g/mol. IUPAC: 2,2,2-trifluoroethyl N-(2-chloroethyl)carbamate.
Chemical Property Profile of N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯
Property Insights of N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯. With a topological polar surface area (TPSA) of 38.3 Ų, N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 has 1 hydrogen bond donor(s) and 5 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-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯?
The CAS number of N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 is 71999-74-1.
What is the molecular formula of N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯?
The molecular formula of N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 is C5H7ClF3NO2.
What is the molecular weight of N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯?
The molecular weight of N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 is 205.01 g/mol.
Where can I buy N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯?
You can request a quote for N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-(2-氯乙基)氨基甲酸-2,2,2-三氟乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.