difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)

C6H12F2N3O4S2- — CID 160727359

IUPACdifluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
SMILESCCN1C=CN(C)C1.F[N-]F.O=S=O.O=S=O
InChIInChI=1S/C6H12N2.F2N.2O2S/c1-3-8-5-4-7(2)6-8;3*1-3-2/h4-5H,3,6H2,1-2H3;;;/q;-1;;
InChIKeyRTWRCFOOPGAEGB-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.47
Rot. Bonds1

About difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)

difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide) (PubChem CID 160727359) has the molecular formula C6H12F2N3O4S2- and a molecular weight of 292.31 g/mol. Its IUPAC name is difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide).

Molecular Properties

Compound Namedifluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
PubChem CID160727359
Molecular FormulaC6H12F2N3O4S2-
Molecular Weight292.31 g/mol
Exact Mass292.02
IUPAC Namedifluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
SMILESCCN1C=CN(C)C1.F[N-]F.O=S=O.O=S=O
InChIInChI=1S/C6H12N2.F2N.2O2S/c1-3-8-5-4-7(2)6-8;3*1-3-2/h4-5H,3,6H2,1-2H3;;;/q;-1;;
InChIKeyRTWRCFOOPGAEGB-UHFFFAOYSA-N
XLogP0.47
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)?
The IUPAC name of difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide) (CID 160727359) is difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide).
What is the SMILES notation for difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)?
The canonical SMILES for difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide) is CCN1C=CN(C)C1.F[N-]F.O=S=O.O=S=O.
What is the InChIKey of difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)?
The InChIKey is RTWRCFOOPGAEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.F2N.2O2S/c1-3-8-5-4-7(2)6-8;3*1-3-2/h4-5H,3,6H2,1-2H3;;;/q;-1;;.
What are the key properties of difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)?
difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide) has a molecular weight of 292.31 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide) is sourced from PubChem (CID 160727359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).