copper tritetrafluoroborate

B3CuF12-3 — CID 173212721

IUPACcopper tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu]
InChIInChI=1S/3BF4.Cu/c3*2-1(3,4)5;/q3*-1;
InChIKeyWBZWWNWXLRSPKR-UHFFFAOYSA-N
MW323.96 g/mol
LogP3.90
Rot. Bonds

About copper tritetrafluoroborate

copper tritetrafluoroborate (PubChem CID 173212721) has the molecular formula B3CuF12-3 and a molecular weight of 323.96 g/mol. Its IUPAC name is copper tritetrafluoroborate.

Molecular Properties

Compound Namecopper tritetrafluoroborate
PubChem CID173212721
Molecular FormulaB3CuF12-3
Molecular Weight323.96 g/mol
Exact Mass323.94
IUPAC Namecopper tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu]
InChIInChI=1S/3BF4.Cu/c3*2-1(3,4)5;/q3*-1;
InChIKeyWBZWWNWXLRSPKR-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.96
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tritetrafluoroborate?
The IUPAC name of copper tritetrafluoroborate (CID 173212721) is copper tritetrafluoroborate.
What is the SMILES notation for copper tritetrafluoroborate?
The canonical SMILES for copper tritetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Cu].
What is the InChIKey of copper tritetrafluoroborate?
The InChIKey is WBZWWNWXLRSPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/3BF4.Cu/c3*2-1(3,4)5;/q3*-1;.
What are the key properties of copper tritetrafluoroborate?
copper tritetrafluoroborate has a molecular weight of 323.96 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper tritetrafluoroborate is sourced from PubChem (CID 173212721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).