bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

C12H18F12MnN2O12S4 — CID 139170048

IUPACbis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCOCCOCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mn+2]
InChIInChI=1S/C8H18O4.2C2F6NO4S2.Mn/c1-9-3-5-11-7-8-12-6-4-10-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-8H2,1-2H3;;;/q;2*-1;+2
InChIKeyXADDXHPHBAYRBV-UHFFFAOYSA-N
MW793.46 g/mol
LogP2.43
Rot. Bonds13

About bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane (PubChem CID 139170048) has the molecular formula C12H18F12MnN2O12S4 and a molecular weight of 793.46 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane.

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
PubChem CID139170048
Molecular FormulaC12H18F12MnN2O12S4
Molecular Weight793.46 g/mol
Exact Mass792.89
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCOCCOCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mn+2]
InChIInChI=1S/C8H18O4.2C2F6NO4S2.Mn/c1-9-3-5-11-7-8-12-6-4-10-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-8H2,1-2H3;;;/q;2*-1;+2
InChIKeyXADDXHPHBAYRBV-UHFFFAOYSA-N
XLogP2.43
TPSA201.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Hydronium bis(trifluoromethanesulfonyl)amide-18-crown-6 (1/1)
CID 168306116
CID 158120479
CID 158120479
Lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 160232373
Lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 172754540
Bis[bis(trifluoromethylsulfonyl)amino]-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]alumanuide
CID 177471617

Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane (CID 139170048) is bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane.
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane is COCCOCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Mn+2].
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The InChIKey is XADDXHPHBAYRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4.2C2F6NO4S2.Mn/c1-9-3-5-11-7-8-12-6-4-10-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-8H2,1-2H3;;;/q;2*-1;+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane has a molecular weight of 793.46 g/mol, XLogP of 2.43, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane is sourced from PubChem (CID 139170048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).