3-Bromo-3-(trifluoromethyl)diazirine
TL;DR: 3-Bromo-3-(trifluoromethyl)diazirine (CAS 117113-33-4) is a chemical compound with molecular formula C2BrF3N2 and molecular weight 187.9197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-3-(trifluoromethyl)diazirine
Also Known As: 3-bromo-3-(trifluoromethyl)diazirine, 3-bromo-3-trifluoromethyldiazirine, 3-bromo-3-(trifluoromethyl)-3H-diazirine, 3-Bromo-3-trifluoromethyl-3H-diazirine, 3H-Diazirine, 3-bromo-3-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C2BrF3N2 |
| Molecular Weight | 187.9197 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.9197 Da |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
| SMILES | C1(N=N1)(C(F)(F)F)Br |
| InChIKey | SBTCLUTTYIKSTD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-3-(trifluoromethyl)diazirine
Property Insights of 3-Bromo-3-(trifluoromethyl)diazirine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-3-(trifluoromethyl)diazirine. With a topological polar surface area (TPSA) of 24.7 Ų, 3-Bromo-3-(trifluoromethyl)diazirine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-3-(trifluoromethyl)diazirine 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
What is the CAS number of 3-Bromo-3-(trifluoromethyl)diazirine?
The CAS number of 3-Bromo-3-(trifluoromethyl)diazirine is 117113-33-4.
What is the molecular formula of 3-Bromo-3-(trifluoromethyl)diazirine?
The molecular formula of 3-Bromo-3-(trifluoromethyl)diazirine is C2BrF3N2.
What is the molecular weight of 3-Bromo-3-(trifluoromethyl)diazirine?
The molecular weight of 3-Bromo-3-(trifluoromethyl)diazirine is 187.9197 g/mol.
Where can I buy 3-Bromo-3-(trifluoromethyl)diazirine?
You can request a quote for 3-Bromo-3-(trifluoromethyl)diazirine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-3-(trifluoromethyl)diazirine?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-3-(trifluoromethyl)diazirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.