1,1-Difluoro-3-nitropropan-2-ol
TL;DR: 1,1-Difluoro-3-nitropropan-2-ol (CAS 148628-50-6) is a chemical compound with molecular formula C3H5F2NO3 and molecular weight 141.02374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-difluoro-3-nitropropan-2-ol
Also Known As: 3,3-Difluoro-1-nitro-2-propanol, 1,1-difluoro-3-nitropropan-2-ol, 1,1-Difluoro-3-nitro-2-propanol, 1,1-difluoro-3-nitro-propan-2-ol, 2-Propanol, 1,1-difluoro-3-nitro-, (A+/-)-
Technical Specifications
| Molecular Formula | C3H5F2NO3 |
| Molecular Weight | 141.02374 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.02374 Da |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
| SMILES | C(C(C(F)F)O)[N+](=O)[O-] |
| InChIKey | JQGMXHIVZNVQQF-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Difluoro-3-nitropropan-2-ol
Property Insights of 1,1-Difluoro-3-nitropropan-2-ol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Difluoro-3-nitropropan-2-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Difluoro-3-nitropropan-2-ol. Following Lipinski's Rule of Five, 1,1-Difluoro-3-nitropropan-2-ol has 1 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 1,1-Difluoro-3-nitropropan-2-ol?
The CAS number of 1,1-Difluoro-3-nitropropan-2-ol is 148628-50-6.
What is the molecular formula of 1,1-Difluoro-3-nitropropan-2-ol?
The molecular formula of 1,1-Difluoro-3-nitropropan-2-ol is C3H5F2NO3.
What is the molecular weight of 1,1-Difluoro-3-nitropropan-2-ol?
The molecular weight of 1,1-Difluoro-3-nitropropan-2-ol is 141.02374 g/mol.
Where can I buy 1,1-Difluoro-3-nitropropan-2-ol?
You can request a quote for 1,1-Difluoro-3-nitropropan-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Difluoro-3-nitropropan-2-ol?
Yes, CoreyChem provides custom synthesis services for 1,1-Difluoro-3-nitropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.