silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate

C10H15AgF3N3O3S — CID 158206653

IUPACsilver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate
SMILESCC#N.CCCCn1ccnc1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C7H12N2.C2H3N.CHF3O3S.Ag/c1-2-3-5-9-6-4-8-7-9;1-2-3;2-1(3,4)8(5,6)7;/h4,6-7H,2-3,5H2,1H3;1H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyGBOQSFZFVKOIGT-UHFFFAOYSA-M
MW422.18 g/mol
LogP2.26
Rot. Bonds3

About silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate

silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate (PubChem CID 158206653) has the molecular formula C10H15AgF3N3O3S and a molecular weight of 422.18 g/mol. Its IUPAC name is silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate
PubChem CID158206653
Molecular FormulaC10H15AgF3N3O3S
Molecular Weight422.18 g/mol
Exact Mass420.98
IUPAC Namesilver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate
SMILESCC#N.CCCCn1ccnc1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C7H12N2.C2H3N.CHF3O3S.Ag/c1-2-3-5-9-6-4-8-7-9;1-2-3;2-1(3,4)8(5,6)7;/h4,6-7H,2-3,5H2,1H3;1H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyGBOQSFZFVKOIGT-UHFFFAOYSA-M
XLogP2.26
TPSA98.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate?
The IUPAC name of silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate (CID 158206653) is silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate.
What is the SMILES notation for silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate?
The canonical SMILES for silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate is CC#N.CCCCn1ccnc1.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate?
The InChIKey is GBOQSFZFVKOIGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2.C2H3N.CHF3O3S.Ag/c1-2-3-5-9-6-4-8-7-9;1-2-3;2-1(3,4)8(5,6)7;/h4,6-7H,2-3,5H2,1H3;1H3;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate?
silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate has a molecular weight of 422.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate is sourced from PubChem (CID 158206653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).