difluorophosphinic acid;isocyanic acid;oxalic acid

C4H5F2N2O8P — CID 175202268

IUPACdifluorophosphinic acid;isocyanic acid;oxalic acid
SMILESN=C=O.N=C=O.O=C(O)C(=O)O.O=P(O)(F)F
InChIInChI=1S/C2H2O4.2CHNO.F2HO2P/c3-1(4)2(5)6;2*2-1-3;1-5(2,3)4/h(H,3,4)(H,5,6);2*2H;(H,3,4)
InChIKeyRQQHQORIJGTSKP-UHFFFAOYSA-N
MW278.06 g/mol
LogP-0.02
Rot. Bonds

About difluorophosphinic acid;isocyanic acid;oxalic acid

difluorophosphinic acid;isocyanic acid;oxalic acid (PubChem CID 175202268) has the molecular formula C4H5F2N2O8P and a molecular weight of 278.06 g/mol. Its IUPAC name is difluorophosphinic acid;isocyanic acid;oxalic acid.

Molecular Properties

Compound Namedifluorophosphinic acid;isocyanic acid;oxalic acid
PubChem CID175202268
Molecular FormulaC4H5F2N2O8P
Molecular Weight278.06 g/mol
Exact Mass277.98
IUPAC Namedifluorophosphinic acid;isocyanic acid;oxalic acid
SMILESN=C=O.N=C=O.O=C(O)C(=O)O.O=P(O)(F)F
InChIInChI=1S/C2H2O4.2CHNO.F2HO2P/c3-1(4)2(5)6;2*2-1-3;1-5(2,3)4/h(H,3,4)(H,5,6);2*2H;(H,3,4)
InChIKeyRQQHQORIJGTSKP-UHFFFAOYSA-N
XLogP-0.02
TPSA193.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid
CID 175199292
isocyanic acid;phosphoric acid
CID 174655162
carbonic acid;difluorophosphinic acid
CID 172772125
lithium;fluoro(hydroxy)phosphinate;fluorophosphonic acid;oxalic acid
CID 175045529
benzene;difluorophosphinic acid
CID 175464766
bis(difluorophosphinic acid);hydrate
CID 56776517
bis(barium(2+));hydride;oxalic acid;phosphoric acid
CID 173360168
isocyanic acid;phosphono dihydrogen phosphate
CID 88741339
fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid
CID 175302099
oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
CID 175180112
lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid
CID 175352083
bis(methylsulfanyl)phosphinic acid;isocyanic acid
CID 88618802

Frequently Asked Questions

What is the IUPAC name of difluorophosphinic acid;isocyanic acid;oxalic acid?
The IUPAC name of difluorophosphinic acid;isocyanic acid;oxalic acid (CID 175202268) is difluorophosphinic acid;isocyanic acid;oxalic acid.
What is the SMILES notation for difluorophosphinic acid;isocyanic acid;oxalic acid?
The canonical SMILES for difluorophosphinic acid;isocyanic acid;oxalic acid is N=C=O.N=C=O.O=C(O)C(=O)O.O=P(O)(F)F.
What is the InChIKey of difluorophosphinic acid;isocyanic acid;oxalic acid?
The InChIKey is RQQHQORIJGTSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.2CHNO.F2HO2P/c3-1(4)2(5)6;2*2-1-3;1-5(2,3)4/h(H,3,4)(H,5,6);2*2H;(H,3,4).
What are the key properties of difluorophosphinic acid;isocyanic acid;oxalic acid?
difluorophosphinic acid;isocyanic acid;oxalic acid has a molecular weight of 278.06 g/mol, XLogP of -0.02, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinic acid;isocyanic acid;oxalic acid is sourced from PubChem (CID 175202268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).