Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester
TL;DR: Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester (CAS 3392-10-7) is a chemical compound with molecular formula C6H10F3NO2 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(trifluoromethyl)carbamate
Also Known As: tert-butyl N-(trifluoromethyl)carbamate, tert-butyl (trifluoromethyl)carbamate, tert-Butyl trifluoromethylcarbamate, Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester, tert-Butyl trifluoromethylcarbamate #
| Molecular Formula | C6H10F3NO2 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.06636 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 3392-10-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(F)(F)F |
| InChIKey | BBGGQYSKSQHAGM-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester (CAS 3392-10-7), with molecular formula C6H10F3NO2 and molecular weight 185.07 g/mol. IUPAC: tert-butyl N-(trifluoromethyl)carbamate.
Chemical Property Profile of Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester
Property Insights of Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester 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 Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester?
The CAS number of Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester is 3392-10-7.
What is the molecular formula of Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester?
The molecular formula of Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester is C6H10F3NO2.
What is the molecular weight of Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester?
The molecular weight of Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester is 185.07 g/mol.
Where can I buy Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester?
You can request a quote for Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl 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, (trifluoromethyl)-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.