2,2,2-trifluoroethyl N-phenylcarbamate
TL;DR: 2,2,2-trifluoroethyl N-phenylcarbamate (CAS 370-32-1) is a chemical compound with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl N-phenylcarbamate
Also Known As: 2,2,2-trifluoroethyl N-phenylcarbamate, 2,2,2-trifluoroethyl phenylcarbamate, PNU-282987 hydrate, 2,2,2-TRIFLUOROETHANOL PHENYLCARBAMATE, 2,2,2-trifluoroethylN-phenylcarbamate
| Molecular Formula | C9H8F3NO2 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05072 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 370-32-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCC(F)(F)F |
| InChIKey | DWYDJEHECXADHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-trifluoroethyl N-phenylcarbamate (CAS 370-32-1), with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol. IUPAC: 2,2,2-trifluoroethyl N-phenylcarbamate.
Chemical Property Profile of 2,2,2-trifluoroethyl N-phenylcarbamate
Property Insights of 2,2,2-trifluoroethyl N-phenylcarbamate
The XLogP value of 3.0 indicates that 2,2,2-trifluoroethyl N-phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2,2,2-trifluoroethyl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoroethyl N-phenylcarbamate 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 2,2,2-trifluoroethyl N-phenylcarbamate?
The CAS number of 2,2,2-trifluoroethyl N-phenylcarbamate is 370-32-1.
What is the molecular formula of 2,2,2-trifluoroethyl N-phenylcarbamate?
The molecular formula of 2,2,2-trifluoroethyl N-phenylcarbamate is C9H8F3NO2.
What is the molecular weight of 2,2,2-trifluoroethyl N-phenylcarbamate?
The molecular weight of 2,2,2-trifluoroethyl N-phenylcarbamate is 219.05 g/mol.
Where can I buy 2,2,2-trifluoroethyl N-phenylcarbamate?
You can request a quote for 2,2,2-trifluoroethyl N-phenylcarbamate 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 N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoroethyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.