sodium;barium(2+);cerium(3+);dicarbonate;difluoride

C2BaCeF2NaO6 — CID 173498505

IUPACsodium;barium(2+);cerium(3+);dicarbonate;difluoride
SMILESO=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Ce+3].[F-].[F-].[Na+]
InChIInChI=1S/2CH2O3.Ba.Ce.2FH.Na/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;2*1H;/q;;+2;+3;;;+1/p-6
InChIKeyJGXRHVSZHIDAHK-UHFFFAOYSA-H
MW458.45 g/mol
LogP-14.26
Rot. Bonds

About sodium;barium(2+);cerium(3+);dicarbonate;difluoride

sodium;barium(2+);cerium(3+);dicarbonate;difluoride (PubChem CID 173498505) has the molecular formula C2BaCeF2NaO6 and a molecular weight of 458.45 g/mol. Its IUPAC name is sodium;barium(2+);cerium(3+);dicarbonate;difluoride.

Molecular Properties

Compound Namesodium;barium(2+);cerium(3+);dicarbonate;difluoride
PubChem CID173498505
Molecular FormulaC2BaCeF2NaO6
Molecular Weight458.45 g/mol
Exact Mass458.77
IUPAC Namesodium;barium(2+);cerium(3+);dicarbonate;difluoride
SMILESO=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Ce+3].[F-].[F-].[Na+]
InChIInChI=1S/2CH2O3.Ba.Ce.2FH.Na/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;2*1H;/q;;+2;+3;;;+1/p-6
InChIKeyJGXRHVSZHIDAHK-UHFFFAOYSA-H
XLogP-14.26
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 5-14.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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barium(2+);carbonate;chloride
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neodymium(3+);carbonate;fluoride
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bis(cerium(3+));bis(zirconium(4+));heptacarbonate
CID 173258228
dipotassium;disodium;dicarbonate
CID 23505264
sodium;niobium(5+);tricarbonate
CID 174578082
sodium;silicon(4+);carbonate
CID 158531104
disodium;titanium;carbonate
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sodium;lanthanum(3+);dicarbonate
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Frequently Asked Questions

What is the IUPAC name of sodium;barium(2+);cerium(3+);dicarbonate;difluoride?
The IUPAC name of sodium;barium(2+);cerium(3+);dicarbonate;difluoride (CID 173498505) is sodium;barium(2+);cerium(3+);dicarbonate;difluoride.
What is the SMILES notation for sodium;barium(2+);cerium(3+);dicarbonate;difluoride?
The canonical SMILES for sodium;barium(2+);cerium(3+);dicarbonate;difluoride is O=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Ce+3].[F-].[F-].[Na+].
What is the InChIKey of sodium;barium(2+);cerium(3+);dicarbonate;difluoride?
The InChIKey is JGXRHVSZHIDAHK-UHFFFAOYSA-H. The full InChI is InChI=1S/2CH2O3.Ba.Ce.2FH.Na/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;2*1H;/q;;+2;+3;;;+1/p-6.
What are the key properties of sodium;barium(2+);cerium(3+);dicarbonate;difluoride?
sodium;barium(2+);cerium(3+);dicarbonate;difluoride has a molecular weight of 458.45 g/mol, XLogP of -14.26, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;barium(2+);cerium(3+);dicarbonate;difluoride is sourced from PubChem (CID 173498505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).