3,3-Di(trifluoromethyl)diazirine
TL;DR: 3,3-Di(trifluoromethyl)diazirine (CAS 3024-50-8) is a chemical compound with molecular formula C3F6N2 and molecular weight 178.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(trifluoromethyl)diazirine
Also Known As: 3,3-Di(trifluoromethyl)diazirine, 3,3-bis(trifluoromethyl)diazirine, 3,3-Bis(trifluoromethyl)-3H-diazirine, 3H-Diazirine, 3,3-bis(trifluoromethyl)-, 3,3-Bis(trifluoromethyl)-3H-diazirene #
| Molecular Formula | C3F6N2 |
|---|---|
| Molecular Weight | 178.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.99657 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3024-50-8 |
|---|---|
| SMILES | C1(N=N1)(C(F)(F)F)C(F)(F)F |
| InChIKey | DEZQSMQOKKCBPQ-UHFFFAOYSA-N |
Product Overview
3,3-Di(trifluoromethyl)diazirine (CAS 3024-50-8), with molecular formula C3F6N2 and molecular weight 178.00 g/mol. IUPAC: 3,3-bis(trifluoromethyl)diazirine.
Chemical Property Profile of 3,3-Di(trifluoromethyl)diazirine
Property Insights of 3,3-Di(trifluoromethyl)diazirine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Di(trifluoromethyl)diazirine. With a topological polar surface area (TPSA) of 24.7 Ų, 3,3-Di(trifluoromethyl)diazirine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Di(trifluoromethyl)diazirine has 0 hydrogen bond donor(s) and 8 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 3,3-Di(trifluoromethyl)diazirine?
The CAS number of 3,3-Di(trifluoromethyl)diazirine is 3024-50-8.
What is the molecular formula of 3,3-Di(trifluoromethyl)diazirine?
The molecular formula of 3,3-Di(trifluoromethyl)diazirine is C3F6N2.
What is the molecular weight of 3,3-Di(trifluoromethyl)diazirine?
The molecular weight of 3,3-Di(trifluoromethyl)diazirine is 178.00 g/mol.
Where can I buy 3,3-Di(trifluoromethyl)diazirine?
You can request a quote for 3,3-Di(trifluoromethyl)diazirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Di(trifluoromethyl)diazirine?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Di(trifluoromethyl)diazirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.