2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene

C9H10F2O3S — CID 18940337

IUPAC2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene
SMILESCc1cccc(S(C)(=O)=O)c1OC(F)F
InChIInChI=1S/C9H10F2O3S/c1-6-4-3-5-7(15(2,12)13)8(6)14-9(10)11/h3-5,9H,1-2H3
InChIKeyYZUNPIFSJYFHHI-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.00
Rot. Bonds3

About 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene

2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene (PubChem CID 18940337) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene
PubChem CID18940337
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Name2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene
SMILESCc1cccc(S(C)(=O)=O)c1OC(F)F
InChIInChI=1S/C9H10F2O3S/c1-6-4-3-5-7(15(2,12)13)8(6)14-9(10)11/h3-5,9H,1-2H3
InChIKeyYZUNPIFSJYFHHI-UHFFFAOYSA-N
XLogP2.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene?
The IUPAC name of 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene (CID 18940337) is 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene.
What is the SMILES notation for 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene?
The canonical SMILES for 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene is Cc1cccc(S(C)(=O)=O)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene?
The InChIKey is YZUNPIFSJYFHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c1-6-4-3-5-7(15(2,12)13)8(6)14-9(10)11/h3-5,9H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene?
2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene has a molecular weight of 236.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-methyl-3-methylsulfonylbenzene is sourced from PubChem (CID 18940337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).