1,1,1-Trifluoro-2-nitroethane
TL;DR: 1,1,1-Trifluoro-2-nitroethane (CAS 819-07-8) is a chemical compound with molecular formula C2H2F3NO2 and molecular weight 129.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-2-nitroethane
Also Known As: 1,1,1-trifluoro-2-nitroethane, 1,1,1-TRIFLUORONITROETHANE, 2,2,2-trifluoronitroethane, 1,1,1-trifluoro-2-nitro-ethane, Ethane,1,1,1-trifluoro-2-nitro-
| Molecular Formula | C2H2F3NO2 |
|---|---|
| Molecular Weight | 129.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.00377 |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 819-07-8 |
|---|---|
| SMILES | C(C(F)(F)F)[N+](=O)[O-] |
| InChIKey | JIKDQMLRRHUBKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-2-nitroethane (CAS 819-07-8), with molecular formula C2H2F3NO2 and molecular weight 129.00 g/mol. IUPAC: 1,1,1-trifluoro-2-nitroethane.
Chemical Property Profile of 1,1,1-Trifluoro-2-nitroethane
Property Insights of 1,1,1-Trifluoro-2-nitroethane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-2-nitroethane. With a topological polar surface area (TPSA) of 45.8 Ų, 1,1,1-Trifluoro-2-nitroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-nitroethane has 0 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 1,1,1-Trifluoro-2-nitroethane?
The CAS number of 1,1,1-Trifluoro-2-nitroethane is 819-07-8.
What is the molecular formula of 1,1,1-Trifluoro-2-nitroethane?
The molecular formula of 1,1,1-Trifluoro-2-nitroethane is C2H2F3NO2.
What is the molecular weight of 1,1,1-Trifluoro-2-nitroethane?
The molecular weight of 1,1,1-Trifluoro-2-nitroethane is 129.00 g/mol.
Where can I buy 1,1,1-Trifluoro-2-nitroethane?
You can request a quote for 1,1,1-Trifluoro-2-nitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-2-nitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2-nitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.