calcium;scandium(3+);pentafluoride

CaF5Sc — CID 175329236

IUPACcalcium;scandium(3+);pentafluoride
SMILES[Ca+2].[F-].[F-].[F-].[F-].[F-].[Sc+3]
InChIInChI=1S/Ca.5FH.Sc/h;5*1H;/q+2;;;;;;+3/p-5
InChIKeySHKNMNXEFWXFGT-UHFFFAOYSA-I
MW180.02 g/mol
LogP-15.36
Rot. Bonds

About calcium;scandium(3+);pentafluoride

calcium;scandium(3+);pentafluoride (PubChem CID 175329236) has the molecular formula CaF5Sc and a molecular weight of 180.02 g/mol. Its IUPAC name is calcium;scandium(3+);pentafluoride.

Molecular Properties

Compound Namecalcium;scandium(3+);pentafluoride
PubChem CID175329236
Molecular FormulaCaF5Sc
Molecular Weight180.02 g/mol
Exact Mass179.91
IUPAC Namecalcium;scandium(3+);pentafluoride
SMILES[Ca+2].[F-].[F-].[F-].[F-].[F-].[Sc+3]
InChIInChI=1S/Ca.5FH.Sc/h;5*1H;/q+2;;;;;;+3/p-5
InChIKeySHKNMNXEFWXFGT-UHFFFAOYSA-I
XLogP-15.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 5-15.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;scandium(3+);pentafluoride?
The IUPAC name of calcium;scandium(3+);pentafluoride (CID 175329236) is calcium;scandium(3+);pentafluoride.
What is the SMILES notation for calcium;scandium(3+);pentafluoride?
The canonical SMILES for calcium;scandium(3+);pentafluoride is [Ca+2].[F-].[F-].[F-].[F-].[F-].[Sc+3].
What is the InChIKey of calcium;scandium(3+);pentafluoride?
The InChIKey is SHKNMNXEFWXFGT-UHFFFAOYSA-I. The full InChI is InChI=1S/Ca.5FH.Sc/h;5*1H;/q+2;;;;;;+3/p-5.
What are the key properties of calcium;scandium(3+);pentafluoride?
calcium;scandium(3+);pentafluoride has a molecular weight of 180.02 g/mol, XLogP of -15.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;scandium(3+);pentafluoride is sourced from PubChem (CID 175329236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).