![3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol structure](/static/products/1154/115416-49-4.webp)
3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol
TL;DR: 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol (CAS 115416-49-4) is a chemical compound with molecular formula C10H11F3N2O3 and molecular weight 264.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-nitro-2-(trifluoromethyl)anilino]propan-1-ol
Also Known As: 3-[4-nitro-2-(trifluoromethyl)anilino]propan-1-ol, 3-((4-Nitro-2-(trifluoromethyl)phenyl)amino)propan-1-ol, CHEMBRDG-BB 6870735, 3-{[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]AMINO}PROPAN-1-OL, W-8280
Technical Specifications
| Molecular Formula | C10H11F3N2O3 |
| Molecular Weight | 264.07217 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.07217 Da |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NCCCO |
| InChIKey | KLTFJGOLYNHARU-UHFFFAOYSA-N |
Chemical Property Profile of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol
Property Insights of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol. Following Lipinski's Rule of Five, 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol?
The CAS number of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol is 115416-49-4.
What is the molecular formula of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol?
The molecular formula of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol is C10H11F3N2O3.
What is the molecular weight of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol?
The molecular weight of 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol is 264.07217 g/mol.
Where can I buy 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol?
You can request a quote for 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol?
Yes, CoreyChem provides custom synthesis services for 3-[4-Nitro-2-(trifluoromethyl)anilino]propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.