[(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid

CHClF2NO4P — CID 135372928

IUPAC[(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid
SMILESO=P(O)(F)OO/N=C(\F)Cl
InChIInChI=1S/CHClF2NO4P/c2-1(3)5-8-9-10(4,6)7/h(H,6,7)/b5-1-
InChIKeySDTOODUYQDVHFP-KTAJNNJTSA-N
MW195.45 g/mol
LogP1.48
Rot. Bonds3

About [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid

[(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid (PubChem CID 135372928) has the molecular formula CHClF2NO4P and a molecular weight of 195.45 g/mol. Its IUPAC name is [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid.

Molecular Properties

Compound Name[(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid
PubChem CID135372928
Molecular FormulaCHClF2NO4P
Molecular Weight195.45 g/mol
Exact Mass194.93
IUPAC Name[(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid
SMILESO=P(O)(F)OO/N=C(\F)Cl
InChIInChI=1S/CHClF2NO4P/c2-1(3)5-8-9-10(4,6)7/h(H,6,7)/b5-1-
InChIKeySDTOODUYQDVHFP-KTAJNNJTSA-N
XLogP1.48
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

difluorophosphorylperoxy(fluoro)phosphinic acid
CID 175565069
alumane;fluorophosphonic acid
CID 173163644
alumane;azane;fluorophosphonic acid
CID 173036000
fluoro(silyloxy)phosphinic acid
CID 172698525
fluoro(methoxy)phosphinic acid
CID 23235630
alumane;phosphoric acid;zirconium
CID 174457878
fluorooxy dihydrogen phosphate
CID 150692430
chloro(fluorooxy)phosphinic acid;chlorophosphonic acid
CID 175540690
copper;fluorophosphonic acid
CID 173104152
fluorophosphonic acid;zinc
CID 173113621
bis(difluorophosphinic acid);hydrate
CID 56776517
fluorophosphonic acid;dihydroiodide
CID 172705626

Frequently Asked Questions

What is the IUPAC name of [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid?
The IUPAC name of [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid (CID 135372928) is [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid.
What is the SMILES notation for [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid?
The canonical SMILES for [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid is O=P(O)(F)OO/N=C(\F)Cl.
What is the InChIKey of [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid?
The InChIKey is SDTOODUYQDVHFP-KTAJNNJTSA-N. The full InChI is InChI=1S/CHClF2NO4P/c2-1(3)5-8-9-10(4,6)7/h(H,6,7)/b5-1-.
What are the key properties of [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid?
[(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid has a molecular weight of 195.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[chloro(fluoro)methylidene]amino]peroxy-fluorophosphinic acid is sourced from PubChem (CID 135372928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).