bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate

C20H42B2F8N6NiO4 — CID 139055748

IUPACbis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate
SMILESCC#N.CC#N.CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C.F[B-](F)(F)F.F[B-](F)(F)F.[Ni+2]
InChIInChI=1S/4C4H9NO.2C2H3N.2BF4.Ni/c4*1-4(6)5(2)3;2*1-2-3;2*2-1(3,4)5;/h4*1-3H3;2*1H3;;;/q;;;;;;2*-1;+2
InChIKeyHUJSLVKXCNFEMR-UHFFFAOYSA-N
MW662.90 g/mol
LogP4.04
Rot. Bonds

About bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate

bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate (PubChem CID 139055748) has the molecular formula C20H42B2F8N6NiO4 and a molecular weight of 662.90 g/mol. Its IUPAC name is bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate.

Molecular Properties

Compound Namebis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate
PubChem CID139055748
Molecular FormulaC20H42B2F8N6NiO4
Molecular Weight662.90 g/mol
Exact Mass662.27
IUPAC Namebis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate
SMILESCC#N.CC#N.CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C.F[B-](F)(F)F.F[B-](F)(F)F.[Ni+2]
InChIInChI=1S/4C4H9NO.2C2H3N.2BF4.Ni/c4*1-4(6)5(2)3;2*1-2-3;2*2-1(3,4)5;/h4*1-3H3;2*1H3;;;/q;;;;;;2*-1;+2
InChIKeyHUJSLVKXCNFEMR-UHFFFAOYSA-N
XLogP4.04
TPSA128.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.90
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylacetamide;oxalonitrile
CID 174761763
bis(acetonitrile);bis(propan-2-one)
CID 163880321
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CID 11380410
azane;N,N-dimethylacetamide
CID 161145572
acetonitrile;nickel(2+);diacetate
CID 161496135
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
N,N-dimethylacetamide;molecular iodine
CID 158534416
acetic acid;pentakis(acetonitrile)
CID 173433569
lithium;N,N-dimethylacetamide;chloride
CID 87129072
N,N-dimethylacetamide;formaldehyde
CID 54040691
N,N-dimethylacetamide;methylsulfinylmethane;hydrate
CID 19812504
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate?
The IUPAC name of bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate (CID 139055748) is bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate.
What is the SMILES notation for bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate?
The canonical SMILES for bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate is CC#N.CC#N.CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C.F[B-](F)(F)F.F[B-](F)(F)F.[Ni+2].
What is the InChIKey of bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate?
The InChIKey is HUJSLVKXCNFEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9NO.2C2H3N.2BF4.Ni/c4*1-4(6)5(2)3;2*1-2-3;2*2-1(3,4)5;/h4*1-3H3;2*1H3;;;/q;;;;;;2*-1;+2.
What are the key properties of bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate?
bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate has a molecular weight of 662.90 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate is sourced from PubChem (CID 139055748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).