1-Fluoro-4-trifluoromethanesulfonylbenzene
TL;DR: 1-Fluoro-4-trifluoromethanesulfonylbenzene (CAS 944-30-9) is a chemical compound with molecular formula C7H4F4O2S and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-(trifluoromethylsulfonyl)benzene
Also Known As: 1-fluoro-4-trifluoromethanesulfonylbenzene, 1-fluoro-4-(trifluoromethylsulfonyl)benzene, Benzene, 1-fluoro-4-[(trifluoromethyl)sulfonyl]-, 4-(Trifluoromethylsulfonyl)fluorobenzene, 1-fluoro-4-[(trifluoromethyl)sulfonyl]benzene
| Molecular Formula | C7H4F4O2S |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 2.1192 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.98682 |
| Heavy Atoms | 14 |
| Complexity | 417.99817 |
Chemical Identifiers
| CAS Number | 944-30-9 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)C(F)(F)F |
Product Overview
1-Fluoro-4-trifluoromethanesulfonylbenzene (CAS 944-30-9), with molecular formula C7H4F4O2S and molecular weight 227.99 g/mol. IUPAC: 1-fluoro-4-(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Fluoro-4-trifluoromethanesulfonylbenzene
Property Insights of 1-Fluoro-4-trifluoromethanesulfonylbenzene
The XLogP value of 2.1192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-trifluoromethanesulfonylbenzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Fluoro-4-trifluoromethanesulfonylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-trifluoromethanesulfonylbenzene has 0 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 1-Fluoro-4-trifluoromethanesulfonylbenzene?
The CAS number of 1-Fluoro-4-trifluoromethanesulfonylbenzene is 944-30-9.
What is the molecular formula of 1-Fluoro-4-trifluoromethanesulfonylbenzene?
The molecular formula of 1-Fluoro-4-trifluoromethanesulfonylbenzene is C7H4F4O2S.
What is the molecular weight of 1-Fluoro-4-trifluoromethanesulfonylbenzene?
The molecular weight of 1-Fluoro-4-trifluoromethanesulfonylbenzene is 227.99 g/mol.
Where can I buy 1-Fluoro-4-trifluoromethanesulfonylbenzene?
You can request a quote for 1-Fluoro-4-trifluoromethanesulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-4-trifluoromethanesulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-trifluoromethanesulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.