2-Bromo-2-cyanohexafluoropropane
TL;DR: 2-Bromo-2-cyanohexafluoropropane (CAS 52198-56-8) is a chemical compound with molecular formula C4BrF6N and molecular weight 254.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanenitrile
Also Known As: 2-Bromo-2-cyanohexafluoropropane, tert-Butylethylether, bromohexafluoroisobutyronitrile, 2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanenitrile, PC1374L
| Molecular Formula | C4BrF6N |
|---|---|
| Molecular Weight | 254.91 g/mol |
| LogP | 2.76828 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.91183 |
| Heavy Atoms | 12 |
| Complexity | 195.05865 |
Chemical Identifiers
| CAS Number | 52198-56-8 |
|---|---|
| SMILES | C(#N)C(C(F)(F)F)(C(F)(F)F)Br |
Product Overview
2-Bromo-2-cyanohexafluoropropane (CAS 52198-56-8), with molecular formula C4BrF6N and molecular weight 254.91 g/mol. IUPAC: 2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanenitrile.
Chemical Property Profile of 2-Bromo-2-cyanohexafluoropropane
Property Insights of 2-Bromo-2-cyanohexafluoropropane
The XLogP value of 2.76828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2-cyanohexafluoropropane. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Bromo-2-cyanohexafluoropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-cyanohexafluoropropane has 0 hydrogen bond donor(s) and 1 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-Bromo-2-cyanohexafluoropropane?
The CAS number of 2-Bromo-2-cyanohexafluoropropane is 52198-56-8.
What is the molecular formula of 2-Bromo-2-cyanohexafluoropropane?
The molecular formula of 2-Bromo-2-cyanohexafluoropropane is C4BrF6N.
What is the molecular weight of 2-Bromo-2-cyanohexafluoropropane?
The molecular weight of 2-Bromo-2-cyanohexafluoropropane is 254.91 g/mol.
Where can I buy 2-Bromo-2-cyanohexafluoropropane?
You can request a quote for 2-Bromo-2-cyanohexafluoropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2-cyanohexafluoropropane?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-cyanohexafluoropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.