bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole

C9H14F6N3O6S2- — CID 159837046

IUPACbis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole
SMILESCCON1C=CN(OCC)C1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2F6NO4S2/c1-3-10-8-5-6-9(7-8)11-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6H,3-4,7H2,1-2H3;/q;-1
InChIKeyNOFFLONXHGHOEU-UHFFFAOYSA-N
MW438.35 g/mol
LogP2.00
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole

bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole (PubChem CID 159837046) has the molecular formula C9H14F6N3O6S2- and a molecular weight of 438.35 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole
PubChem CID159837046
Molecular FormulaC9H14F6N3O6S2-
Molecular Weight438.35 g/mol
Exact Mass438.02
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole
SMILESCCON1C=CN(OCC)C1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2F6NO4S2/c1-3-10-8-5-6-9(7-8)11-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6H,3-4,7H2,1-2H3;/q;-1
InChIKeyNOFFLONXHGHOEU-UHFFFAOYSA-N
XLogP2.00
TPSA107.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
acetic acid;1-ethoxy-3-methyl-2H-imidazole
CID 174583134
bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium
CID 140880035
bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
CID 158388046
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole (CID 159837046) is bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole is CCON1C=CN(OCC)C1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole?
The InChIKey is NOFFLONXHGHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2F6NO4S2/c1-3-10-8-5-6-9(7-8)11-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6H,3-4,7H2,1-2H3;/q;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole?
bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole has a molecular weight of 438.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1,3-diethoxy-2H-imidazole is sourced from PubChem (CID 159837046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).