azane;osmium;tris(trifluoromethanesulfonic acid)

C3H18F9N5O9OsS3 — CID 85298772

IUPACazane;osmium;tris(trifluoromethanesulfonic acid)
SMILESN.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os]
InChIInChI=1S/3CHF3O3S.5H3N.Os/c3*2-1(3,4)8(5,6)7;;;;;;/h3*(H,5,6,7);5*1H3;
InChIKeyKJOSOZBKYCOBQT-UHFFFAOYSA-N
MW725.62 g/mol
LogP1.99
Rot. Bonds

About azane;osmium;tris(trifluoromethanesulfonic acid)

azane;osmium;tris(trifluoromethanesulfonic acid) (PubChem CID 85298772) has the molecular formula C3H18F9N5O9OsS3 and a molecular weight of 725.62 g/mol. Its IUPAC name is azane;osmium;tris(trifluoromethanesulfonic acid).

Molecular Properties

Compound Nameazane;osmium;tris(trifluoromethanesulfonic acid)
PubChem CID85298772
Molecular FormulaC3H18F9N5O9OsS3
Molecular Weight725.62 g/mol
Exact Mass726.97
IUPAC Nameazane;osmium;tris(trifluoromethanesulfonic acid)
SMILESN.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os]
InChIInChI=1S/3CHF3O3S.5H3N.Os/c3*2-1(3,4)8(5,6)7;;;;;;/h3*(H,5,6,7);5*1H3;
InChIKeyKJOSOZBKYCOBQT-UHFFFAOYSA-N
XLogP1.99
TPSA338.11 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500725.62
LogP ≤ 51.99
H-Bond Donors ≤ 58
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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Related Compounds

osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468
methanethiol;trifluoromethanesulfonic acid
CID 171923949
benzene;trifluoromethanesulfonic acid
CID 87157881
phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
CID 174954004
trifluoromethanesulfonic acid cyanide
CID 171930627

Frequently Asked Questions

What is the IUPAC name of azane;osmium;tris(trifluoromethanesulfonic acid)?
The IUPAC name of azane;osmium;tris(trifluoromethanesulfonic acid) (CID 85298772) is azane;osmium;tris(trifluoromethanesulfonic acid).
What is the SMILES notation for azane;osmium;tris(trifluoromethanesulfonic acid)?
The canonical SMILES for azane;osmium;tris(trifluoromethanesulfonic acid) is N.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os].
What is the InChIKey of azane;osmium;tris(trifluoromethanesulfonic acid)?
The InChIKey is KJOSOZBKYCOBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHF3O3S.5H3N.Os/c3*2-1(3,4)8(5,6)7;;;;;;/h3*(H,5,6,7);5*1H3;.
What are the key properties of azane;osmium;tris(trifluoromethanesulfonic acid)?
azane;osmium;tris(trifluoromethanesulfonic acid) has a molecular weight of 725.62 g/mol, XLogP of 1.99, 0 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;osmium;tris(trifluoromethanesulfonic acid) is sourced from PubChem (CID 85298772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).