magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride

C3H2Cl3F6KMgO4S2 — CID 86749078

IUPACmagnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
SMILESO=S(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Cl-].[K+].[Mg+2]
InChIInChI=1S/C3H2F6O4S2.3ClH.K.Mg/c4-2(5,6)14(10,11)1-15(12,13)3(7,8)9;;;;;/h1H2;3*1H;;/q;;;;+1;+2/p-3
InChIKeyPYVQQHWDHYCMLP-UHFFFAOYSA-K
MW449.93 g/mol
LogP-11.55
Rot. Bonds2

About magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride

magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride (PubChem CID 86749078) has the molecular formula C3H2Cl3F6KMgO4S2 and a molecular weight of 449.93 g/mol. Its IUPAC name is magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride.

Molecular Properties

Compound Namemagnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
PubChem CID86749078
Molecular FormulaC3H2Cl3F6KMgO4S2
Molecular Weight449.93 g/mol
Exact Mass447.79
IUPAC Namemagnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
SMILESO=S(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Cl-].[K+].[Mg+2]
InChIInChI=1S/C3H2F6O4S2.3ClH.K.Mg/c4-2(5,6)14(10,11)1-15(12,13)3(7,8)9;;;;;/h1H2;3*1H;;/q;;;;+1;+2/p-3
InChIKeyPYVQQHWDHYCMLP-UHFFFAOYSA-K
XLogP-11.55
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.93
LogP ≤ 5-11.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride with MolForge

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

Launch Full Analysis

Related Compounds

1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336
magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
CID 140785394
N-butyl-1,1-difluoro-1-(trifluoromethylsulfonylmethylsulfonyl)methanesulfonamide
CID 90329011
fluoro(trifluoromethylsulfonyl)azanide
CID 154510873
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
5-(trifluoromethylsulfonyl)pentan-1-amine
CID 87227705
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
CID 171932746

Frequently Asked Questions

What is the IUPAC name of magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride?
The IUPAC name of magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride (CID 86749078) is magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride.
What is the SMILES notation for magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride?
The canonical SMILES for magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride is O=S(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cl-].[Cl-].[Cl-].[K+].[Mg+2].
What is the InChIKey of magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride?
The InChIKey is PYVQQHWDHYCMLP-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H2F6O4S2.3ClH.K.Mg/c4-2(5,6)14(10,11)1-15(12,13)3(7,8)9;;;;;/h1H2;3*1H;;/q;;;;+1;+2/p-3.
What are the key properties of magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride?
magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride has a molecular weight of 449.93 g/mol, XLogP of -11.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride is sourced from PubChem (CID 86749078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).