tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate
TL;DR: tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate (CAS 17049-74-0) is a chemical compound with molecular formula C7H12F3NO3 and molecular weight 215.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2,2,2-trifluoro-1-hydroxyethyl)carbamate
Also Known As: tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate, tert-butyl N-(2,2,2-trifluoro-1-hydroxyethyl)carbamate, tert-Butyl 2,2,2-trifluoro-1-hydroxyethylcarbamate, J1.195.779J, tert-Butyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate
| Molecular Formula | C7H12F3NO3 |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.07693 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 17049-74-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(C(F)(F)F)O |
| InChIKey | HVTJYNRKBXOBCX-UHFFFAOYSA-N |
Product Overview
tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate (CAS 17049-74-0), with molecular formula C7H12F3NO3 and molecular weight 215.08 g/mol. IUPAC: tert-butyl N-(2,2,2-trifluoro-1-hydroxyethyl)carbamate.
Chemical Property Profile of tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate
Property Insights of tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate has 2 hydrogen bond donor(s) and 6 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 tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate?
The CAS number of tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate is 17049-74-0.
What is the molecular formula of tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate?
The molecular formula of tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate is C7H12F3NO3.
What is the molecular weight of tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate?
The molecular weight of tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate is 215.08 g/mol.
Where can I buy tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate?
You can request a quote for tert-Butyl N-(1-hydroxy-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 tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.