2,2,2-Trifluoroethyl carbamate
TL;DR: 2,2,2-Trifluoroethyl carbamate (CAS 461-37-0) is a chemical compound with molecular formula C3H4F3NO2 and molecular weight 143.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl carbamate
Also Known As: 2,2,2-Trifluoroethyl carbamate, 2,2,2-trifluoroethylcarbamate, 2-Carbamoyloxy-1,1,1-trifluor-aethan, Ethanol,2,2,2-trifluoro-, 1-carbamate, 871-229-9
| Molecular Formula | C3H4F3NO2 |
|---|---|
| Molecular Weight | 143.02 g/mol |
| LogP | 0.644 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.01941 |
| Heavy Atoms | 9 |
| Complexity | 110.115715 |
Chemical Identifiers
| CAS Number | 461-37-0 |
|---|---|
| SMILES | C(C(F)(F)F)OC(=O)N |
Product Overview
2,2,2-Trifluoroethyl carbamate (CAS 461-37-0), with molecular formula C3H4F3NO2 and molecular weight 143.02 g/mol. IUPAC: 2,2,2-trifluoroethyl carbamate.
Chemical Property Profile of 2,2,2-Trifluoroethyl carbamate
Property Insights of 2,2,2-Trifluoroethyl carbamate
The XLogP value of 0.644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl carbamate. With a topological polar surface area (TPSA) of 52.32 Ų, 2,2,2-Trifluoroethyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 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 carbamate?
The CAS number of 2,2,2-Trifluoroethyl carbamate is 461-37-0.
What is the molecular formula of 2,2,2-Trifluoroethyl carbamate?
The molecular formula of 2,2,2-Trifluoroethyl carbamate is C3H4F3NO2.
What is the molecular weight of 2,2,2-Trifluoroethyl carbamate?
The molecular weight of 2,2,2-Trifluoroethyl carbamate is 143.02 g/mol.
Where can I buy 2,2,2-Trifluoroethyl carbamate?
You can request a quote for 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 2,2,2-Trifluoroethyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.