azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)

C6H20F6N6O6OsS2 — CID 135047574

IUPACazane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)
SMILESN.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].c1cc[nH]c1
InChIInChI=1S/C4H5N.2CHF3O3S.5H3N.Os/c1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;;;;;/h1-5H;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeySPAKPNXECGPXHN-UHFFFAOYSA-L
MW640.61 g/mol
LogP1.92
Rot. Bonds

About azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)

azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate) (PubChem CID 135047574) has the molecular formula C6H20F6N6O6OsS2 and a molecular weight of 640.61 g/mol. Its IUPAC name is azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)
PubChem CID135047574
Molecular FormulaC6H20F6N6O6OsS2
Molecular Weight640.61 g/mol
Exact Mass642.04
IUPAC Nameazane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)
SMILESN.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].c1cc[nH]c1
InChIInChI=1S/C4H5N.2CHF3O3S.5H3N.Os/c1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;;;;;/h1-5H;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeySPAKPNXECGPXHN-UHFFFAOYSA-L
XLogP1.92
TPSA305.19 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500640.61
LogP ≤ 51.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)?
The IUPAC name of azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate) (CID 135047574) is azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate) is N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].c1cc[nH]c1.
What is the InChIKey of azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)?
The InChIKey is SPAKPNXECGPXHN-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H5N.2CHF3O3S.5H3N.Os/c1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;;;;;/h1-5H;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.
What are the key properties of azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)?
azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate) has a molecular weight of 640.61 g/mol, XLogP of 1.92, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 135047574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).