1-fluoro-2-methylsulfonylbenzene

C7H7FO2S — CID 2778243

IUPAC1-fluoro-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C7H7FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyDRQGZMZPKOYPKW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.23
Rot. Bonds1

About 1-fluoro-2-methylsulfonylbenzene

1-fluoro-2-methylsulfonylbenzene (PubChem CID 2778243) has the molecular formula C7H7FO2S and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-fluoro-2-methylsulfonylbenzene.

Molecular Properties

Compound Name1-fluoro-2-methylsulfonylbenzene
PubChem CID2778243
Molecular FormulaC7H7FO2S
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Name1-fluoro-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C7H7FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyDRQGZMZPKOYPKW-UHFFFAOYSA-N
XLogP1.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylsulfonylbenzene?
The IUPAC name of 1-fluoro-2-methylsulfonylbenzene (CID 2778243) is 1-fluoro-2-methylsulfonylbenzene.
What is the SMILES notation for 1-fluoro-2-methylsulfonylbenzene?
The canonical SMILES for 1-fluoro-2-methylsulfonylbenzene is CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-methylsulfonylbenzene?
The InChIKey is DRQGZMZPKOYPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3.
What are the key properties of 1-fluoro-2-methylsulfonylbenzene?
1-fluoro-2-methylsulfonylbenzene has a molecular weight of 174.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylsulfonylbenzene is sourced from PubChem (CID 2778243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).