tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)

C8H12Cu4F4N4O12P4 — CID 175388629

IUPACtetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCC#N.CC#N.CC#N.CC#N.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/4C2H3N.4Cu.4FH2O3P/c4*1-2-3;;;;;4*1-5(2,3)4/h4*1H3;;;;;4*(H2,2,3,4)/q;;;;4*+2;;;;/p-8
InChIKeyFMTUJYXOJSLYKL-UHFFFAOYSA-F
MW810.27 g/mol
LogP-2.75
Rot. Bonds

About tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)

tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane) (PubChem CID 175388629) has the molecular formula C8H12Cu4F4N4O12P4 and a molecular weight of 810.27 g/mol. Its IUPAC name is tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Nametetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
PubChem CID175388629
Molecular FormulaC8H12Cu4F4N4O12P4
Molecular Weight810.27 g/mol
Exact Mass807.65
IUPAC Nametetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCC#N.CC#N.CC#N.CC#N.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/4C2H3N.4Cu.4FH2O3P/c4*1-2-3;;;;;4*1-5(2,3)4/h4*1H3;;;;;4*(H2,2,3,4)/q;;;;4*+2;;;;/p-8
InChIKeyFMTUJYXOJSLYKL-UHFFFAOYSA-F
XLogP-2.75
TPSA347.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.27
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

tripotassium;acetonitrile;phosphate
CID 162129988
tetracopper;tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 175200090
sodium;acetonitrile;hydron;phosphate
CID 173290031
lithium;fluoro-dioxido-oxo-λ5-phosphane;iron(2+)
CID 158027187
disodium;acetonitrile;hydrogen phosphate;propan-2-ol
CID 174970061
acetonitrile;triacontahydrate
CID 141398921
sodium;tetrakis(fluoro-dioxido-oxo-λ5-phosphane);iron(2+);vanadium
CID 175427471
potassium;zinc;copper(1+);fluoro-dioxido-oxo-λ5-phosphane
CID 21294180
copper;tetrakis(acetonitrile);diperchlorate
CID 161459784
copper;acetonitrile;ditetrafluoroborate
CID 11380410
disodium;chromium(3+);pentakis(fluoro-dioxido-oxo-λ5-phosphane);vanadium
CID 175438170
sodium;fluoro-dioxido-oxo-λ5-phosphane;tin(2+) dihydride;fluoride
CID 173399771

Frequently Asked Questions

What is the IUPAC name of tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)?
The IUPAC name of tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane) (CID 175388629) is tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane) is CC#N.CC#N.CC#N.CC#N.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)?
The InChIKey is FMTUJYXOJSLYKL-UHFFFAOYSA-F. The full InChI is InChI=1S/4C2H3N.4Cu.4FH2O3P/c4*1-2-3;;;;;4*1-5(2,3)4/h4*1H3;;;;;4*(H2,2,3,4)/q;;;;4*+2;;;;/p-8.
What are the key properties of tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane)?
tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane) has a molecular weight of 810.27 g/mol, XLogP of -2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;tetrakis(acetonitrile);tetrakis(fluoro-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 175388629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).