Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester
TL;DR: Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester (CAS 200876-84-2) is a chemical compound with molecular formula C9H7F4NO2 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl N-(3-fluorophenyl)carbamate
Also Known As: 2,2,2-trifluoroethyl N-(3-fluorophenyl)carbamate, 2,2,2-Trifluoroethyl (3-fluorophenyl)carbamate, 2,2,2-trifluoroethylN-(3-fluorophenyl)carbamate, Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester, RefChem:1080825
| Molecular Formula | C9H7F4NO2 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 2.9365 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.04129 |
| Heavy Atoms | 16 |
| Complexity | 378.01688 |
Chemical Identifiers
| CAS Number | 200876-84-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=O)OCC(F)(F)F |
Product Overview
Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester (CAS 200876-84-2), with molecular formula C9H7F4NO2 and molecular weight 237.04 g/mol. IUPAC: 2,2,2-trifluoroethyl N-(3-fluorophenyl)carbamate.
Chemical Property Profile of Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester
Property Insights of Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester
The XLogP value of 2.9365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester 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 Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester?
The CAS number of Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester is 200876-84-2.
What is the molecular formula of Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester?
The molecular formula of Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester is C9H7F4NO2.
What is the molecular weight of Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester?
The molecular weight of Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester is 237.04 g/mol.
Where can I buy Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester?
You can request a quote for Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3-fluorophenyl)-, 2,2,2-trifluoroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.