1-Methyl-2,2,3,3-tetrafluoropropyl carbamate
TL;DR: 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate (CAS 756-48-9) is a chemical compound with molecular formula C5H7F4NO2 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4,4-tetrafluorobutan-2-yl carbamate
Also Known As: 3,3,4,4-tetrafluorobutan-2-yl carbamate, 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate, 2-Butanol, 3,3,4,4-tetrafluoro-, carbamate, 1-methyl-2,2,3,3-tetrafluoropropylcarbamate, 2,2,3,3-Tetrafluoro-1-methylpropyl carbamate
| Molecular Formula | C5H7F4NO2 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.04129 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 756-48-9 |
|---|---|
| SMILES | CC(C(C(F)F)(F)F)OC(=O)N |
| InChIKey | XUIBKESPXOBFGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2,2,3,3-tetrafluoropropyl carbamate (CAS 756-48-9), with molecular formula C5H7F4NO2 and molecular weight 189.04 g/mol. IUPAC: 3,3,4,4-tetrafluorobutan-2-yl carbamate.
Chemical Property Profile of 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate
Property Insights of 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate has 1 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 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate?
The CAS number of 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate is 756-48-9.
What is the molecular formula of 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate?
The molecular formula of 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate is C5H7F4NO2.
What is the molecular weight of 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate?
The molecular weight of 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate is 189.04 g/mol.
Where can I buy 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate?
You can request a quote for 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2,2,3,3-tetrafluoropropyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.