magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride

C4ClF10MgNO4S2 — CID 140785394

IUPACmagnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Cl-].[Mg+2]
InChIInChI=1S/C4F10NO4S2.ClH.Mg/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;;/h;1H;/q-1;;+2/p-1
InChIKeyBNIVNPKWZLRCBY-UHFFFAOYSA-M
MW439.92 g/mol
LogP-1.05
Rot. Bonds4

About magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride

magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride (PubChem CID 140785394) has the molecular formula C4ClF10MgNO4S2 and a molecular weight of 439.92 g/mol. Its IUPAC name is magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride.

Molecular Properties

Compound Namemagnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
PubChem CID140785394
Molecular FormulaC4ClF10MgNO4S2
Molecular Weight439.92 g/mol
Exact Mass438.86
IUPAC Namemagnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Cl-].[Mg+2]
InChIInChI=1S/C4F10NO4S2.ClH.Mg/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;;/h;1H;/q-1;;+2/p-1
InChIKeyBNIVNPKWZLRCBY-UHFFFAOYSA-M
XLogP-1.05
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 87423860
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
hexalithium;[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylazanidylsulfonyl)butyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 177414090
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium
CID 141281448
copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)
CID 25185926
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide
CID 154724969
potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
CID 154703557
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium
CID 141248001
tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride?
The IUPAC name of magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride (CID 140785394) is magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride.
What is the SMILES notation for magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride?
The canonical SMILES for magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Cl-].[Mg+2].
What is the InChIKey of magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride?
The InChIKey is BNIVNPKWZLRCBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4F10NO4S2.ClH.Mg/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;;/h;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride?
magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride has a molecular weight of 439.92 g/mol, XLogP of -1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride is sourced from PubChem (CID 140785394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).