1,1,1-Trifluoro-3-nitropropane
TL;DR: 1,1,1-Trifluoro-3-nitropropane (CAS 461-35-8) is a chemical compound with molecular formula C3H4F3NO2 and molecular weight 143.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-nitropropane
Also Known As: 1,1,1-trifluoro-3-nitropropane, Propane, 1,1,1-trifluoro-3-nitro-, 1,1,1-trifluoro-3-nitro-propane, 984-175-7, RefChem:409466
| Molecular Formula | C3H4F3NO2 |
|---|---|
| Molecular Weight | 143.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.01941 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 461-35-8 |
|---|---|
| SMILES | C(C[N+](=O)[O-])C(F)(F)F |
| InChIKey | UDLZGFZDVHDXHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-3-nitropropane (CAS 461-35-8), with molecular formula C3H4F3NO2 and molecular weight 143.02 g/mol. IUPAC: 1,1,1-trifluoro-3-nitropropane.
Chemical Property Profile of 1,1,1-Trifluoro-3-nitropropane
Property Insights of 1,1,1-Trifluoro-3-nitropropane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-nitropropane. With a topological polar surface area (TPSA) of 45.8 Ų, 1,1,1-Trifluoro-3-nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-nitropropane 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-3-nitropropane?
The CAS number of 1,1,1-Trifluoro-3-nitropropane is 461-35-8.
What is the molecular formula of 1,1,1-Trifluoro-3-nitropropane?
The molecular formula of 1,1,1-Trifluoro-3-nitropropane is C3H4F3NO2.
What is the molecular weight of 1,1,1-Trifluoro-3-nitropropane?
The molecular weight of 1,1,1-Trifluoro-3-nitropropane is 143.02 g/mol.
Where can I buy 1,1,1-Trifluoro-3-nitropropane?
You can request a quote for 1,1,1-Trifluoro-3-nitropropane 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-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.