lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid

C5H8FLiN3O10P — CID 175199292

IUPAClithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid
SMILESN=C=O.N=C=O.N=C=O.O=C(O)C(=O)O.O=P(O)(O)F.[H-].[Li+]
InChIInChI=1S/C2H2O4.3CHNO.FH2O3P.Li.H/c3-1(4)2(5)6;3*2-1-3;1-5(2,3)4;;/h(H,3,4)(H,5,6);3*2H;(H2,2,3,4);;/q;;;;;+1;-1
InChIKeyXFSKEGKSSAMQDK-UHFFFAOYSA-N
MW327.04 g/mol
LogP-3.98
Rot. Bonds

About lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid

lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid (PubChem CID 175199292) has the molecular formula C5H8FLiN3O10P and a molecular weight of 327.04 g/mol. Its IUPAC name is lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid.

Molecular Properties

Compound Namelithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid
PubChem CID175199292
Molecular FormulaC5H8FLiN3O10P
Molecular Weight327.04 g/mol
Exact Mass327.01
IUPAC Namelithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid
SMILESN=C=O.N=C=O.N=C=O.O=C(O)C(=O)O.O=P(O)(O)F.[H-].[Li+]
InChIInChI=1S/C2H2O4.3CHNO.FH2O3P.Li.H/c3-1(4)2(5)6;3*2-1-3;1-5(2,3)4;;/h(H,3,4)(H,5,6);3*2H;(H2,2,3,4);;/q;;;;;+1;-1
InChIKeyXFSKEGKSSAMQDK-UHFFFAOYSA-N
XLogP-3.98
TPSA254.89 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.04
LogP ≤ 5-3.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

difluorophosphinic acid;isocyanic acid;oxalic acid
CID 175202268
lithium;fluoro(hydroxy)phosphinate;fluorophosphonic acid;oxalic acid
CID 175045529
isocyanic acid;phosphoric acid
CID 174655162
lithium;fluorophosphonic acid;hydride;vanadium
CID 173022638
bis(barium(2+));hydride;oxalic acid;phosphoric acid
CID 173360168
lithium;fluorophosphonic acid;fluoride
CID 158000068
carbonic acid;difluorophosphinic acid
CID 172772125
potassium;fluorophosphonic acid;hydride;vanadium
CID 175014028
fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid
CID 175302099
fluorophosphonic acid;dihydroiodide
CID 172705626
fluorophosphonic acid;zinc
CID 173113621
copper;fluorophosphonic acid
CID 173104152

Frequently Asked Questions

What is the IUPAC name of lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid?
The IUPAC name of lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid (CID 175199292) is lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid.
What is the SMILES notation for lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid?
The canonical SMILES for lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid is N=C=O.N=C=O.N=C=O.O=C(O)C(=O)O.O=P(O)(O)F.[H-].[Li+].
What is the InChIKey of lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid?
The InChIKey is XFSKEGKSSAMQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.3CHNO.FH2O3P.Li.H/c3-1(4)2(5)6;3*2-1-3;1-5(2,3)4;;/h(H,3,4)(H,5,6);3*2H;(H2,2,3,4);;/q;;;;;+1;-1.
What are the key properties of lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid?
lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid has a molecular weight of 327.04 g/mol, XLogP of -3.98, 0 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid is sourced from PubChem (CID 175199292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).