1-fluoro-2-(methylsulfonylmethyl)benzene

C8H9FO2S — CID 2761413

IUPAC1-fluoro-2-(methylsulfonylmethyl)benzene
SMILESCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyMHDGOXPEXQDBPW-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.37
Rot. Bonds2

About 1-fluoro-2-(methylsulfonylmethyl)benzene

1-fluoro-2-(methylsulfonylmethyl)benzene (PubChem CID 2761413) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-fluoro-2-(methylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(methylsulfonylmethyl)benzene
PubChem CID2761413
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name1-fluoro-2-(methylsulfonylmethyl)benzene
SMILESCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyMHDGOXPEXQDBPW-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(methylsulfonylmethyl)benzene?
The IUPAC name of 1-fluoro-2-(methylsulfonylmethyl)benzene (CID 2761413) is 1-fluoro-2-(methylsulfonylmethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(methylsulfonylmethyl)benzene?
The canonical SMILES for 1-fluoro-2-(methylsulfonylmethyl)benzene is CS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(methylsulfonylmethyl)benzene?
The InChIKey is MHDGOXPEXQDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3.
What are the key properties of 1-fluoro-2-(methylsulfonylmethyl)benzene?
1-fluoro-2-(methylsulfonylmethyl)benzene has a molecular weight of 188.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(methylsulfonylmethyl)benzene is sourced from PubChem (CID 2761413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).