1-(4-fluorophenyl)-2-methylsulfonylethanone

C9H9FO3S — CID 1488246

IUPAC1-(4-fluorophenyl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO3S/c1-14(12,13)6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyWRNGTQAJHRDDIY-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.05
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methylsulfonylethanone

1-(4-fluorophenyl)-2-methylsulfonylethanone (PubChem CID 1488246) has the molecular formula C9H9FO3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methylsulfonylethanone
PubChem CID1488246
Molecular FormulaC9H9FO3S
Molecular Weight216.23 g/mol
Exact Mass216.03
IUPAC Name1-(4-fluorophenyl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO3S/c1-14(12,13)6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKeyWRNGTQAJHRDDIY-UHFFFAOYSA-N
XLogP1.05
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methylsulfonylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-methylsulfonylethanone (CID 1488246) is 1-(4-fluorophenyl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methylsulfonylethanone?
The InChIKey is WRNGTQAJHRDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3S/c1-14(12,13)6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-methylsulfonylethanone?
1-(4-fluorophenyl)-2-methylsulfonylethanone has a molecular weight of 216.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methylsulfonylethanone is sourced from PubChem (CID 1488246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).