magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)

C8F18MgO12S6 — CID 171930698

IUPACmagnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)
SMILESO=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mg+2]
InChIInChI=1S/2C4F9O6S3.Mg/c2*5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/q2*-1;+2
InChIKeyGRPCYZVALABSTE-UHFFFAOYSA-N
MW846.75 g/mol
LogP2.09
Rot. Bonds6

About magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)

magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane) (PubChem CID 171930698) has the molecular formula C8F18MgO12S6 and a molecular weight of 846.75 g/mol. Its IUPAC name is magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane).

Molecular Properties

Compound Namemagnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)
PubChem CID171930698
Molecular FormulaC8F18MgO12S6
Molecular Weight846.75 g/mol
Exact Mass845.73
IUPAC Namemagnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)
SMILESO=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mg+2]
InChIInChI=1S/2C4F9O6S3.Mg/c2*5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/q2*-1;+2
InChIKeyGRPCYZVALABSTE-UHFFFAOYSA-N
XLogP2.09
TPSA204.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.75
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

dilithium;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hydride
CID 174143701
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 59440478
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;tetrabutylazanium
CID 159421082
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;hexyl(trimethyl)azanium
CID 158275519
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;1,3,4-trimethylpyridin-1-ium
CID 158944221
1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene
CID 177479465
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;1-butyl-3,4-dimethylpyridin-1-ium
CID 158640296
trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;trimethyl(octadecyl)azanium
CID 158816446
bis(4-tert-butylphenyl)iodanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 162111776
trifluoromethylsulfonylazanide
CID 18339154
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoro(methanidylsulfonyl)methane
CID 22078458

Frequently Asked Questions

What is the IUPAC name of magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)?
The IUPAC name of magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane) (CID 171930698) is magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane).
What is the SMILES notation for magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)?
The canonical SMILES for magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane) is O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mg+2].
What is the InChIKey of magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)?
The InChIKey is GRPCYZVALABSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4F9O6S3.Mg/c2*5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/q2*-1;+2.
What are the key properties of magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane)?
magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane) has a molecular weight of 846.75 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane) is sourced from PubChem (CID 171930698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).