tris(acetonitrile);bis(hexafluoroantimony(1-));hydron

C6H11F12N3Sb2 — CID 174993579

IUPACtris(acetonitrile);bis(hexafluoroantimony(1-));hydron
SMILESCC#N.CC#N.CC#N.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[H+].[H+]
InChIInChI=1S/3C2H3N.12FH.2Sb/c3*1-2-3;;;;;;;;;;;;;;/h3*1H3;12*1H;;/q;;;;;;;;;;;;;;;2*+5/p-10
InChIKeyGFDSEXJQXGMKPE-UHFFFAOYSA-D
MW596.67 g/mol
LogP6.10
Rot. Bonds

About tris(acetonitrile);bis(hexafluoroantimony(1-));hydron

tris(acetonitrile);bis(hexafluoroantimony(1-));hydron (PubChem CID 174993579) has the molecular formula C6H11F12N3Sb2 and a molecular weight of 596.67 g/mol. Its IUPAC name is tris(acetonitrile);bis(hexafluoroantimony(1-));hydron.

Molecular Properties

Compound Nametris(acetonitrile);bis(hexafluoroantimony(1-));hydron
PubChem CID174993579
Molecular FormulaC6H11F12N3Sb2
Molecular Weight596.67 g/mol
Exact Mass594.88
IUPAC Nametris(acetonitrile);bis(hexafluoroantimony(1-));hydron
SMILESCC#N.CC#N.CC#N.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[H+].[H+]
InChIInChI=1S/3C2H3N.12FH.2Sb/c3*1-2-3;;;;;;;;;;;;;;/h3*1H3;12*1H;;/q;;;;;;;;;;;;;;;2*+5/p-10
InChIKeyGFDSEXJQXGMKPE-UHFFFAOYSA-D
XLogP6.10
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.67
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(acetonitrile);copper(1+);hexafluoroantimony(1-)
CID 16714870
Bis(acetonitrile);hexafluoroantimony(1-)
CID 173793836
Tris(acetonitrile);hexafluoroantimony(1-);hydron
CID 175112828
Tetrakis(acetonitrile);hexafluoroantimony(1-)
CID 175476036
Silver;tetrakis(acetonitrile);hexafluoroantimony(1-)
CID 175476038
Tris(acetonitrile);hexafluoroantimony(1-)
CID 175497243
Copper;pentakis(acetonitrile);bis(hexafluoroantimony(1-))
CID 56838736

Frequently Asked Questions

What is the IUPAC name of tris(acetonitrile);bis(hexafluoroantimony(1-));hydron?
The IUPAC name of tris(acetonitrile);bis(hexafluoroantimony(1-));hydron (CID 174993579) is tris(acetonitrile);bis(hexafluoroantimony(1-));hydron.
What is the SMILES notation for tris(acetonitrile);bis(hexafluoroantimony(1-));hydron?
The canonical SMILES for tris(acetonitrile);bis(hexafluoroantimony(1-));hydron is CC#N.CC#N.CC#N.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[H+].[H+].
What is the InChIKey of tris(acetonitrile);bis(hexafluoroantimony(1-));hydron?
The InChIKey is GFDSEXJQXGMKPE-UHFFFAOYSA-D. The full InChI is InChI=1S/3C2H3N.12FH.2Sb/c3*1-2-3;;;;;;;;;;;;;;/h3*1H3;12*1H;;/q;;;;;;;;;;;;;;;2*+5/p-10.
What are the key properties of tris(acetonitrile);bis(hexafluoroantimony(1-));hydron?
tris(acetonitrile);bis(hexafluoroantimony(1-));hydron has a molecular weight of 596.67 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(acetonitrile);bis(hexafluoroantimony(1-));hydron is sourced from PubChem (CID 174993579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).