1,2-difluoro-3-(methylsulfonylmethyl)benzene

C8H8F2O2S — CID 2761430

IUPAC1,2-difluoro-3-(methylsulfonylmethyl)benzene
SMILESCS(=O)(=O)Cc1cccc(F)c1F
InChIInChI=1S/C8H8F2O2S/c1-13(11,12)5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3
InChIKeyACAOCXFGAIYWLY-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.51
Rot. Bonds2

About 1,2-difluoro-3-(methylsulfonylmethyl)benzene

1,2-difluoro-3-(methylsulfonylmethyl)benzene (PubChem CID 2761430) has the molecular formula C8H8F2O2S and a molecular weight of 206.21 g/mol. Its IUPAC name is 1,2-difluoro-3-(methylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(methylsulfonylmethyl)benzene
PubChem CID2761430
Molecular FormulaC8H8F2O2S
Molecular Weight206.21 g/mol
Exact Mass206.02
IUPAC Name1,2-difluoro-3-(methylsulfonylmethyl)benzene
SMILESCS(=O)(=O)Cc1cccc(F)c1F
InChIInChI=1S/C8H8F2O2S/c1-13(11,12)5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3
InChIKeyACAOCXFGAIYWLY-UHFFFAOYSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(methylsulfonylmethyl)benzene?
The IUPAC name of 1,2-difluoro-3-(methylsulfonylmethyl)benzene (CID 2761430) is 1,2-difluoro-3-(methylsulfonylmethyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(methylsulfonylmethyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(methylsulfonylmethyl)benzene is CS(=O)(=O)Cc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(methylsulfonylmethyl)benzene?
The InChIKey is ACAOCXFGAIYWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2S/c1-13(11,12)5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3.
What are the key properties of 1,2-difluoro-3-(methylsulfonylmethyl)benzene?
1,2-difluoro-3-(methylsulfonylmethyl)benzene has a molecular weight of 206.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(methylsulfonylmethyl)benzene is sourced from PubChem (CID 2761430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).