lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid

C4H2F2LiN2O8PS2 — CID 175352083

IUPAClithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid
SMILESO=C(O)C(=O)O.O=C=NSSN=C=O.O=P([O-])(F)F.[Li+]
InChIInChI=1S/C2N2O2S2.C2H2O4.F2HO2P.Li/c5-1-3-7-8-4-2-6;3-1(4)2(5)6;1-5(2,3)4;/h;(H,3,4)(H,5,6);(H,3,4);/q;;;+1/p-1
InChIKeyFQXUMLPOGJDHDT-UHFFFAOYSA-M
MW346.11 g/mol
LogP-2.58
Rot. Bonds3

About lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid

lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid (PubChem CID 175352083) has the molecular formula C4H2F2LiN2O8PS2 and a molecular weight of 346.11 g/mol. Its IUPAC name is lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid.

Molecular Properties

Compound Namelithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid
PubChem CID175352083
Molecular FormulaC4H2F2LiN2O8PS2
Molecular Weight346.11 g/mol
Exact Mass345.91
IUPAC Namelithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid
SMILESO=C(O)C(=O)O.O=C=NSSN=C=O.O=P([O-])(F)F.[Li+]
InChIInChI=1S/C2N2O2S2.C2H2O4.F2HO2P.Li/c5-1-3-7-8-4-2-6;3-1(4)2(5)6;1-5(2,3)4;/h;(H,3,4)(H,5,6);(H,3,4);/q;;;+1/p-1
InChIKeyFQXUMLPOGJDHDT-UHFFFAOYSA-M
XLogP-2.58
TPSA173.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

sodium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane
CID 175765699
lithium;fluoro(hydroxy)phosphinate;fluorophosphonic acid;oxalic acid
CID 175045529
sodium;isocyanatosulfanylimino(oxo)methane;oxalic acid;tetrafluoroborate
CID 175298298
lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid
CID 175199292
difluorophosphinic acid;isocyanic acid;oxalic acid
CID 175202268
fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid
CID 175302099
potassium;disodium;oxalic acid;phosphate
CID 172720333
tris(difluorophosphinate);silver
CID 175763297
californium;oxalic acid
CID 87427078
dilithium;bis(difluorophosphinate);trifluoroborane
CID 175347289
dilithium;difluorophosphinate;tetrafluoroborate
CID 174049644
lithium;fluoro-dioxido-oxo-λ5-phosphane;iron(2+)
CID 158027187

Frequently Asked Questions

What is the IUPAC name of lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid?
The IUPAC name of lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid (CID 175352083) is lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid.
What is the SMILES notation for lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid?
The canonical SMILES for lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid is O=C(O)C(=O)O.O=C=NSSN=C=O.O=P([O-])(F)F.[Li+].
What is the InChIKey of lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid?
The InChIKey is FQXUMLPOGJDHDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2N2O2S2.C2H2O4.F2HO2P.Li/c5-1-3-7-8-4-2-6;3-1(4)2(5)6;1-5(2,3)4;/h;(H,3,4)(H,5,6);(H,3,4);/q;;;+1/p-1.
What are the key properties of lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid?
lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid has a molecular weight of 346.11 g/mol, XLogP of -2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid is sourced from PubChem (CID 175352083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).