Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate
TL;DR: Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate (CAS 6776-48-3) is a chemical compound with molecular formula C10H9ClF3NO2 and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate
Also Known As: Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate, benzyl(1-chloro-2,2,2-trifluoroethyl)carbamate, Benzyl (1-chloro-2,2,2-trifluoroethyl)carbamate, benzyl N-(1-chloro-2,2,2-trifluoro-ethyl)carbamate, N-(1-Chloro-2,2,2-trifluoroethyl)-benzyloxyacetamide
| Molecular Formula | C10H9ClF3NO2 |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0274 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 6776-48-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)Cl |
| InChIKey | MGDUFVWEIZNPGG-UHFFFAOYSA-N |
Product Overview
Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate (CAS 6776-48-3), with molecular formula C10H9ClF3NO2 and molecular weight 267.03 g/mol. IUPAC: benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate.
Chemical Property Profile of Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate
Property Insights of Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate
The XLogP value of 3.3 indicates that Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate 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 Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate?
The CAS number of Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate is 6776-48-3.
What is the molecular formula of Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate?
The molecular formula of Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate is C10H9ClF3NO2.
What is the molecular weight of Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate?
The molecular weight of Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate is 267.03 g/mol.
Where can I buy Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate?
You can request a quote for Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.