Trifluoronitromethane
TL;DR: Trifluoronitromethane (CAS 335-02-4) is a chemical compound with molecular formula CF3NO2 and molecular weight 114.98811 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trifluoro(nitro)methane
Also Known As: TRIFLUORONITROMETHANE, trifluoro(nitro)methane, trifluoro-nitro-methane, nitrotrifluoromethane, Methane,trifluoronitro
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CF3NO2 |
| Molecular Weight | 114.98811 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.98811 Da |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
| SMILES | C([N+](=O)[O-])(F)(F)F |
| InChIKey | GEGIENATMYITAP-UHFFFAOYSA-N |
Product Description
Applications: Trifluoronitromethane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trifluoronitromethane (CAS 335-02-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Trifluoronitromethane (CAS 335-02-4) is a pharmaceutical intermediate with the molecular formula CF3NO2 and a molecular weight of 114.99 g/mol. It is also known as TRIFLUORONITROMETHANE and trifluoro(nitro)methane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Trifluoronitromethane
Property Insights of Trifluoronitromethane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoronitromethane. With a topological polar surface area (TPSA) of 45.8 Ų, Trifluoronitromethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoronitromethane 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
What is the CAS number of Trifluoronitromethane?
The CAS number of Trifluoronitromethane is 335-02-4.
What is the molecular formula of Trifluoronitromethane?
The molecular formula of Trifluoronitromethane is CF3NO2.
What is the molecular weight of Trifluoronitromethane?
The molecular weight of Trifluoronitromethane is 114.98811 g/mol.
What are the applications of Trifluoronitromethane?
Trifluoronitromethane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trifluoronitromethane (CAS...
Where can I buy Trifluoronitromethane?
You can request a quote for Trifluoronitromethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifluoronitromethane?
Yes, CoreyChem provides custom synthesis services for Trifluoronitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.