magnesium;amino carboxy carbonate;difluoride

C2H3F2MgNO5 — CID 173150021

IUPACmagnesium;amino carboxy carbonate;difluoride
SMILESNOC(=O)OC(=O)O.[F-].[F-].[Mg+2]
InChIInChI=1S/C2H3NO5.2FH.Mg/c3-8-2(6)7-1(4)5;;;/h3H2,(H,4,5);2*1H;/q;;;+2/p-2
InChIKeyCHSQMWBQEIHBRX-UHFFFAOYSA-L
MW183.35 g/mol
LogP-6.68
Rot. Bonds

About magnesium;amino carboxy carbonate;difluoride

magnesium;amino carboxy carbonate;difluoride (PubChem CID 173150021) has the molecular formula C2H3F2MgNO5 and a molecular weight of 183.35 g/mol. Its IUPAC name is magnesium;amino carboxy carbonate;difluoride.

Molecular Properties

Compound Namemagnesium;amino carboxy carbonate;difluoride
PubChem CID173150021
Molecular FormulaC2H3F2MgNO5
Molecular Weight183.35 g/mol
Exact Mass182.98
IUPAC Namemagnesium;amino carboxy carbonate;difluoride
SMILESNOC(=O)OC(=O)O.[F-].[F-].[Mg+2]
InChIInChI=1S/C2H3NO5.2FH.Mg/c3-8-2(6)7-1(4)5;;;/h3H2,(H,4,5);2*1H;/q;;;+2/p-2
InChIKeyCHSQMWBQEIHBRX-UHFFFAOYSA-L
XLogP-6.68
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.35
LogP ≤ 5-6.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dicarboxy carbonate
CID 18671322
magnesium;bis(barium(2+));dicarboxy carbonate;hydride
CID 174349687
dicarboxy carbonate;manganese
CID 174775106
azane;dicarboxy carbonate;zinc
CID 174882061
2-O-amino 1-O-carboxy oxalate
CID 155682346
carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
CID 175230414
disodium;copper;dicarboxy carbonate;hydride
CID 175456993
dicarboxy carbonate;phosphoric acid
CID 160573536
carboxy hydrogen carbonate;hydrochloride
CID 141485807
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
diamino carbonate;guanidine
CID 87141757
adamantane;carboxy hydrogen carbonate
CID 87605200

Frequently Asked Questions

What is the IUPAC name of magnesium;amino carboxy carbonate;difluoride?
The IUPAC name of magnesium;amino carboxy carbonate;difluoride (CID 173150021) is magnesium;amino carboxy carbonate;difluoride.
What is the SMILES notation for magnesium;amino carboxy carbonate;difluoride?
The canonical SMILES for magnesium;amino carboxy carbonate;difluoride is NOC(=O)OC(=O)O.[F-].[F-].[Mg+2].
What is the InChIKey of magnesium;amino carboxy carbonate;difluoride?
The InChIKey is CHSQMWBQEIHBRX-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3NO5.2FH.Mg/c3-8-2(6)7-1(4)5;;;/h3H2,(H,4,5);2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;amino carboxy carbonate;difluoride?
magnesium;amino carboxy carbonate;difluoride has a molecular weight of 183.35 g/mol, XLogP of -6.68, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;amino carboxy carbonate;difluoride is sourced from PubChem (CID 173150021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).