1,1,1-Trifluoro-3-nitropropan-2-ol
TL;DR: 1,1,1-Trifluoro-3-nitropropan-2-ol (CAS 951893-91-7) is a chemical compound with molecular formula C3H4F3NO3 and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-nitropropan-2-ol
Also Known As: 1,1,1-trifluoro-3-nitropropan-2-ol, 3-Nitro-1,1,1-trifluoropropan-2-ol, 1,1,1-Trifluoro-3-nitro-2-propanol, 1,1,1-trifluoro-3-nitro-propan-2-ol, 2-Propanol,1,1,1-trifluoro-3-nitro-
| Molecular Formula | C3H4F3NO3 |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | 0.1863 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.01433 |
| Heavy Atoms | 10 |
| Complexity | 133.44484 |
Chemical Identifiers
| CAS Number | 951893-91-7 |
|---|---|
| SMILES | C(C(C(F)(F)F)O)[N+](=O)[O-] |
Product Overview
1,1,1-Trifluoro-3-nitropropan-2-ol (CAS 951893-91-7), with molecular formula C3H4F3NO3 and molecular weight 159.01 g/mol. IUPAC: 1,1,1-trifluoro-3-nitropropan-2-ol.
Chemical Property Profile of 1,1,1-Trifluoro-3-nitropropan-2-ol
Property Insights of 1,1,1-Trifluoro-3-nitropropan-2-ol
The XLogP value of 0.1863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-nitropropan-2-ol. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Trifluoro-3-nitropropan-2-ol. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-nitropropan-2-ol has 1 hydrogen bond donor(s) and 3 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-3-nitropropan-2-ol?
The CAS number of 1,1,1-Trifluoro-3-nitropropan-2-ol is 951893-91-7.
What is the molecular formula of 1,1,1-Trifluoro-3-nitropropan-2-ol?
The molecular formula of 1,1,1-Trifluoro-3-nitropropan-2-ol is C3H4F3NO3.
What is the molecular weight of 1,1,1-Trifluoro-3-nitropropan-2-ol?
The molecular weight of 1,1,1-Trifluoro-3-nitropropan-2-ol is 159.01 g/mol.
Where can I buy 1,1,1-Trifluoro-3-nitropropan-2-ol?
You can request a quote for 1,1,1-Trifluoro-3-nitropropan-2-ol 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-3-nitropropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-nitropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.