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

C6H10F2N2O2S — CID 172731823

IUPAC1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole
SMILESCCN1C=CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H10F2N2O2S/c1-2-9-3-4-10(5-9)13(11,12)6(7)8/h3-4,6H,2,5H2,1H3
InChIKeyHXACWEGBOQRTST-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.61
Rot. Bonds3

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

1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole (PubChem CID 172731823) has the molecular formula C6H10F2N2O2S and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole
PubChem CID172731823
Molecular FormulaC6H10F2N2O2S
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC Name1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole
SMILESCCN1C=CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H10F2N2O2S/c1-2-9-3-4-10(5-9)13(11,12)6(7)8/h3-4,6H,2,5H2,1H3
InChIKeyHXACWEGBOQRTST-UHFFFAOYSA-N
XLogP0.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole (CID 172731823) is 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole is CCN1C=CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole?
The InChIKey is HXACWEGBOQRTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2S/c1-2-9-3-4-10(5-9)13(11,12)6(7)8/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole?
1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole has a molecular weight of 212.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-ethyl-2H-imidazole is sourced from PubChem (CID 172731823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).