1-(2-fluoro-5-methylsulfonylphenyl)ethanone

C9H9FO3S — CID 83409937

IUPAC1-(2-fluoro-5-methylsulfonylphenyl)ethanone
SMILESCC(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C9H9FO3S/c1-6(11)8-5-7(14(2,12)13)3-4-9(8)10/h3-5H,1-2H3
InChIKeyLPRPBJVBZLIBNN-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-fluoro-5-methylsulfonylphenyl)ethanone

1-(2-fluoro-5-methylsulfonylphenyl)ethanone (PubChem CID 83409937) has the molecular formula C9H9FO3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-methylsulfonylphenyl)ethanone
PubChem CID83409937
Molecular FormulaC9H9FO3S
Molecular Weight216.23 g/mol
Exact Mass216.03
IUPAC Name1-(2-fluoro-5-methylsulfonylphenyl)ethanone
SMILESCC(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C9H9FO3S/c1-6(11)8-5-7(14(2,12)13)3-4-9(8)10/h3-5H,1-2H3
InChIKeyLPRPBJVBZLIBNN-UHFFFAOYSA-N
XLogP1.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)ethanone (CID 83409937) is 1-(2-fluoro-5-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-5-methylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-5-methylsulfonylphenyl)ethanone is CC(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylsulfonylphenyl)ethanone?
The InChIKey is LPRPBJVBZLIBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3S/c1-6(11)8-5-7(14(2,12)13)3-4-9(8)10/h3-5H,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylsulfonylphenyl)ethanone?
1-(2-fluoro-5-methylsulfonylphenyl)ethanone has a molecular weight of 216.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 83409937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).