bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium

C28H36AgF10N- — CID 135046013

IUPACbis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Ag]
InChIInChI=1S/C16H36N.2C6F5.Ag/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-2-1-3(8)5(10)6(11)4(2)9;/h5-16H2,1-4H3;;;/q+1;2*-1;
InChIKeyWPNJHUZEOSOQQD-UHFFFAOYSA-N
MW684.45 g/mol
LogP9.37
Rot. Bonds12

About bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium

bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium (PubChem CID 135046013) has the molecular formula C28H36AgF10N- and a molecular weight of 684.45 g/mol. Its IUPAC name is bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium.

Molecular Properties

Compound Namebis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium
PubChem CID135046013
Molecular FormulaC28H36AgF10N-
Molecular Weight684.45 g/mol
Exact Mass683.17
IUPAC Namebis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Ag]
InChIInChI=1S/C16H36N.2C6F5.Ag/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-2-1-3(8)5(10)6(11)4(2)9;/h5-16H2,1-4H3;;;/q+1;2*-1;
InChIKeyWPNJHUZEOSOQQD-UHFFFAOYSA-N
XLogP9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.45
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
methane;tetrabutylazanium;tritetrafluoroborate
CID 173499905
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
tributyl(triacontyl)azanium
CID 153322884
tetrabutylazanium;fluoride;dihydrate
CID 22343550
tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
hydron;tetrabutylazanium;diiodide
CID 173281455
phosphane;tetrabutylazanium;fluoride
CID 174703499

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium?
The IUPAC name of bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium (CID 135046013) is bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium.
What is the SMILES notation for bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium?
The canonical SMILES for bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Ag].
What is the InChIKey of bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium?
The InChIKey is WPNJHUZEOSOQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.2C6F5.Ag/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-2-1-3(8)5(10)6(11)4(2)9;/h5-16H2,1-4H3;;;/q+1;2*-1;.
What are the key properties of bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium?
bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium has a molecular weight of 684.45 g/mol, XLogP of 9.37, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium is sourced from PubChem (CID 135046013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).