1,2-difluoro-4-methylsulfonylbenzene

C7H6F2O2S — CID 2782743

IUPAC1,2-difluoro-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyWMBJGJXMKCOHGG-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.37
Rot. Bonds1

About 1,2-difluoro-4-methylsulfonylbenzene

1,2-difluoro-4-methylsulfonylbenzene (PubChem CID 2782743) has the molecular formula C7H6F2O2S and a molecular weight of 192.19 g/mol. Its IUPAC name is 1,2-difluoro-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1,2-difluoro-4-methylsulfonylbenzene
PubChem CID2782743
Molecular FormulaC7H6F2O2S
Molecular Weight192.19 g/mol
Exact Mass192.01
IUPAC Name1,2-difluoro-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyWMBJGJXMKCOHGG-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylsulfonylbenzene?
The IUPAC name of 1,2-difluoro-4-methylsulfonylbenzene (CID 2782743) is 1,2-difluoro-4-methylsulfonylbenzene.
What is the SMILES notation for 1,2-difluoro-4-methylsulfonylbenzene?
The canonical SMILES for 1,2-difluoro-4-methylsulfonylbenzene is CS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-methylsulfonylbenzene?
The InChIKey is WMBJGJXMKCOHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3.
What are the key properties of 1,2-difluoro-4-methylsulfonylbenzene?
1,2-difluoro-4-methylsulfonylbenzene has a molecular weight of 192.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methylsulfonylbenzene is sourced from PubChem (CID 2782743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).