scandium tetrafluoroborate

BF4Sc- — CID 173240081

IUPACscandium tetrafluoroborate
SMILESF[B-](F)(F)F.[Sc]
InChIInChI=1S/BF4.Sc/c2-1(3,4)5;/q-1;
InChIKeyPPTMNFTUMDPVDG-UHFFFAOYSA-N
MW131.76 g/mol
LogP1.30
Rot. Bonds

About scandium tetrafluoroborate

scandium tetrafluoroborate (PubChem CID 173240081) has the molecular formula BF4Sc- and a molecular weight of 131.76 g/mol. Its IUPAC name is scandium tetrafluoroborate.

Molecular Properties

Compound Namescandium tetrafluoroborate
PubChem CID173240081
Molecular FormulaBF4Sc-
Molecular Weight131.76 g/mol
Exact Mass131.96
IUPAC Namescandium tetrafluoroborate
SMILESF[B-](F)(F)F.[Sc]
InChIInChI=1S/BF4.Sc/c2-1(3,4)5;/q-1;
InChIKeyPPTMNFTUMDPVDG-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.76
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze scandium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of scandium tetrafluoroborate?
The IUPAC name of scandium tetrafluoroborate (CID 173240081) is scandium tetrafluoroborate.
What is the SMILES notation for scandium tetrafluoroborate?
The canonical SMILES for scandium tetrafluoroborate is F[B-](F)(F)F.[Sc].
What is the InChIKey of scandium tetrafluoroborate?
The InChIKey is PPTMNFTUMDPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/BF4.Sc/c2-1(3,4)5;/q-1;.
What are the key properties of scandium tetrafluoroborate?
scandium tetrafluoroborate has a molecular weight of 131.76 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for scandium tetrafluoroborate is sourced from PubChem (CID 173240081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).