copper;acetonitrile;ditetrafluoroborate

C2H3B2CuF8N — CID 11380410

IUPACcopper;acetonitrile;ditetrafluoroborate
SMILESCC#N.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2]
InChIInChI=1S/C2H3N.2BF4.Cu/c1-2-3;2*2-1(3,4)5;/h1H3;;;/q;2*-1;+2
InChIKeyWJKJOGWKVBDKAY-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.13
Rot. Bonds

About copper;acetonitrile;ditetrafluoroborate

copper;acetonitrile;ditetrafluoroborate (PubChem CID 11380410) has the molecular formula C2H3B2CuF8N and a molecular weight of 278.21 g/mol. Its IUPAC name is copper;acetonitrile;ditetrafluoroborate.

Molecular Properties

Compound Namecopper;acetonitrile;ditetrafluoroborate
PubChem CID11380410
Molecular FormulaC2H3B2CuF8N
Molecular Weight278.21 g/mol
Exact Mass277.96
IUPAC Namecopper;acetonitrile;ditetrafluoroborate
SMILESCC#N.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2]
InChIInChI=1S/C2H3N.2BF4.Cu/c1-2-3;2*2-1(3,4)5;/h1H3;;;/q;2*-1;+2
InChIKeyWJKJOGWKVBDKAY-UHFFFAOYSA-N
XLogP3.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;acetonitrile;ditetrafluoroborate?
The IUPAC name of copper;acetonitrile;ditetrafluoroborate (CID 11380410) is copper;acetonitrile;ditetrafluoroborate.
What is the SMILES notation for copper;acetonitrile;ditetrafluoroborate?
The canonical SMILES for copper;acetonitrile;ditetrafluoroborate is CC#N.F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].
What is the InChIKey of copper;acetonitrile;ditetrafluoroborate?
The InChIKey is WJKJOGWKVBDKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.2BF4.Cu/c1-2-3;2*2-1(3,4)5;/h1H3;;;/q;2*-1;+2.
What are the key properties of copper;acetonitrile;ditetrafluoroborate?
copper;acetonitrile;ditetrafluoroborate has a molecular weight of 278.21 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;acetonitrile;ditetrafluoroborate is sourced from PubChem (CID 11380410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).