fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid

C5H5FNO14PS — CID 175302099

IUPACfluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C=NS(=O)(=O)OP(=O)(O)F
InChIInChI=1S/2C2H2O4.CHFNO6PS/c2*3-1(4)2(5)6;2-10(5,6)9-11(7,8)3-1-4/h2*(H,3,4)(H,5,6);(H,5,6)
InChIKeySJCIGIOBRNIWHW-UHFFFAOYSA-N
MW385.13 g/mol
LogP-2.04
Rot. Bonds3

About fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid

fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid (PubChem CID 175302099) has the molecular formula C5H5FNO14PS and a molecular weight of 385.13 g/mol. Its IUPAC name is fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid.

Molecular Properties

Compound Namefluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid
PubChem CID175302099
Molecular FormulaC5H5FNO14PS
Molecular Weight385.13 g/mol
Exact Mass384.92
IUPAC Namefluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C=NS(=O)(=O)OP(=O)(O)F
InChIInChI=1S/2C2H2O4.CHFNO6PS/c2*3-1(4)2(5)6;2-10(5,6)9-11(7,8)3-1-4/h2*(H,3,4)(H,5,6);(H,5,6)
InChIKeySJCIGIOBRNIWHW-UHFFFAOYSA-N
XLogP-2.04
TPSA259.30 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.13
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
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

lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid
CID 175199292
difluorophosphinic acid;isocyanic acid;oxalic acid
CID 175202268
lithium;difluorophosphinate;(isocyanatodisulfanyl)imino-oxomethane;oxalic acid
CID 175352083
lithium;fluoro(hydroxy)phosphinate;fluorophosphonic acid;oxalic acid
CID 175045529
disodium;bis(isocyanatosulfonyl 2,2,2-trifluoroacetate);oxalate
CID 175301888
carbonic acid;difluorophosphinic acid
CID 172772125
bis(barium(2+));hydride;oxalic acid;phosphoric acid
CID 173360168
lithium;fluorophosphonic acid;fluoride
CID 158000068
oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
CID 175180112
fluoro(methoxy)phosphinic acid
CID 23235630
fluoro(silyloxy)phosphinic acid
CID 172698525
lithium;oxalic acid;chloride
CID 175547992

Frequently Asked Questions

What is the IUPAC name of fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid?
The IUPAC name of fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid (CID 175302099) is fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid.
What is the SMILES notation for fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid?
The canonical SMILES for fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid is O=C(O)C(=O)O.O=C(O)C(=O)O.O=C=NS(=O)(=O)OP(=O)(O)F.
What is the InChIKey of fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid?
The InChIKey is SJCIGIOBRNIWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2O4.CHFNO6PS/c2*3-1(4)2(5)6;2-10(5,6)9-11(7,8)3-1-4/h2*(H,3,4)(H,5,6);(H,5,6).
What are the key properties of fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid?
fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid has a molecular weight of 385.13 g/mol, XLogP of -2.04, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(isocyanatosulfonyloxy)phosphinic acid;oxalic acid is sourced from PubChem (CID 175302099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).