tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)

C6F18N3O12RuS6 — CID 158320833

IUPACtris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
SMILESO=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.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Ru+3]
InChIInChI=1S/3C2F6NO4S2.Ru/c3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q3*-1;+3
InChIKeyGOVDWNHLKIFOTG-UHFFFAOYSA-N
MW941.51 g/mol
LogP3.18
Rot. Bonds6

About tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)

tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+) (PubChem CID 158320833) has the molecular formula C6F18N3O12RuS6 and a molecular weight of 941.51 g/mol. Its IUPAC name is tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+).

Molecular Properties

Compound Nametris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
PubChem CID158320833
Molecular FormulaC6F18N3O12RuS6
Molecular Weight941.51 g/mol
Exact Mass941.66
IUPAC Nametris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
SMILESO=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.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Ru+3]
InChIInChI=1S/3C2F6NO4S2.Ru/c3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q3*-1;+3
InChIKeyGOVDWNHLKIFOTG-UHFFFAOYSA-N
XLogP3.18
TPSA247.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)?
The IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+) (CID 158320833) is tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+).
What is the SMILES notation for tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)?
The canonical SMILES for tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+) is 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.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Ru+3].
What is the InChIKey of tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)?
The InChIKey is GOVDWNHLKIFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2F6NO4S2.Ru/c3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q3*-1;+3.
What are the key properties of tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)?
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+) has a molecular weight of 941.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+) is sourced from PubChem (CID 158320833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).