anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)

C9H23F6N5O7OsS2 — CID 11104386

IUPACanisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCOc1ccccc1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C7H8O.2CHF3O3S.5H3N.Os/c1-8-7-5-3-2-4-6-7;2*2-1(3,4)8(5,6)7;;;;;;/h2-6H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyPPSRDFWGNATLMG-UHFFFAOYSA-L
MW681.66 g/mol
LogP2.61
Rot. Bonds1

About anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)

anisole;azane;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 11104386) has the molecular formula C9H23F6N5O7OsS2 and a molecular weight of 681.66 g/mol. Its IUPAC name is anisole;azane;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameanisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID11104386
Molecular FormulaC9H23F6N5O7OsS2
Molecular Weight681.66 g/mol
Exact Mass683.06
IUPAC Nameanisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCOc1ccccc1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C7H8O.2CHF3O3S.5H3N.Os/c1-8-7-5-3-2-4-6-7;2*2-1(3,4)8(5,6)7;;;;;;/h2-6H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyPPSRDFWGNATLMG-UHFFFAOYSA-L
XLogP2.61
TPSA298.63 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.66
LogP ≤ 52.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

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

methane;(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;bis(triphenylsulfanium)
CID 159553561
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
(4-methoxyphenyl)methyl-diphenylsulfanium;trifluoromethanesulfonate
CID 161364484
anisole;2,2,2-trifluoroacetic acid
CID 66633105
azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 11146932
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium;trifluoromethanesulfonate
CID 44888171
bis(3-methoxyphenyl)iodanium;trifluoromethanesulfonate
CID 175669103
anisole;molecular nitrogen;sulfuric acid
CID 174681459
anisole;methanesulfonyl chloride
CID 162217178
(E)-2-(4-methoxyphenyl)-1-phenyl-2-(trifluoromethylsulfonyloxy)ethenediazonium;trifluoromethanesulfonate
CID 134883214
[bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium
CID 91040883

Frequently Asked Questions

What is the IUPAC name of anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of anisole;azane;osmium(2+);bis(trifluoromethanesulfonate) (CID 11104386) is anisole;azane;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for anisole;azane;osmium(2+);bis(trifluoromethanesulfonate) is COc1ccccc1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].
What is the InChIKey of anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is PPSRDFWGNATLMG-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8O.2CHF3O3S.5H3N.Os/c1-8-7-5-3-2-4-6-7;2*2-1(3,4)8(5,6)7;;;;;;/h2-6H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.
What are the key properties of anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)?
anisole;azane;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 681.66 g/mol, XLogP of 2.61, 1 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;azane;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 11104386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).