1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole

C5H8F2N2O2S — CID 172767200

IUPAC1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C5H8F2N2O2S/c1-8-2-3-9(4-8)12(10,11)5(6)7/h2-3,5H,4H2,1H3
InChIKeyMLXWINZYFKNOPK-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.21
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole

1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole (PubChem CID 172767200) has the molecular formula C5H8F2N2O2S and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole
PubChem CID172767200
Molecular FormulaC5H8F2N2O2S
Molecular Weight198.19 g/mol
Exact Mass198.03
IUPAC Name1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C5H8F2N2O2S/c1-8-2-3-9(4-8)12(10,11)5(6)7/h2-3,5H,4H2,1H3
InChIKeyMLXWINZYFKNOPK-UHFFFAOYSA-N
XLogP0.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole (CID 172767200) is 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole is CN1C=CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole?
The InChIKey is MLXWINZYFKNOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O2S/c1-8-2-3-9(4-8)12(10,11)5(6)7/h2-3,5H,4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole?
1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole has a molecular weight of 198.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 172767200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).