2-Propanone,3-bromo-1,1,1-trifluoro-, oxime
TL;DR: 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime (CAS 117341-57-8) is a chemical compound with molecular formula C3H3BrF3NO and molecular weight 204.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine
Also Known As: Eprovafen, 3-Bromo-1,1,1-trifluoroacetone oxime, N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine, 1-bromo-3,3,3-trifluoroacetonoxime, 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime
| Molecular Formula | C3H3BrF3NO |
|---|---|
| Molecular Weight | 204.94 g/mol |
| LogP | 1.7738 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.93501 |
| Heavy Atoms | 9 |
| Complexity | 120.71649 |
Chemical Identifiers
| CAS Number | 117341-57-8 |
|---|---|
| SMILES | C(C(=NO)C(F)(F)F)Br |
Product Overview
2-Propanone,3-bromo-1,1,1-trifluoro-, oxime (CAS 117341-57-8), with molecular formula C3H3BrF3NO and molecular weight 204.94 g/mol. IUPAC: N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine.
Chemical Property Profile of 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime
Property Insights of 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime
The XLogP value of 1.7738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime has 1 hydrogen bond donor(s) and 2 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 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime?
The CAS number of 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime is 117341-57-8.
What is the molecular formula of 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime?
The molecular formula of 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime is C3H3BrF3NO.
What is the molecular weight of 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime?
The molecular weight of 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime is 204.94 g/mol.
Where can I buy 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime?
You can request a quote for 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone,3-bromo-1,1,1-trifluoro-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.