fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid

C6HF6O3P — CID 178182539

IUPACfluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid
SMILESO=P(O)(F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF6O3P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H,13,14)
InChIKeyWCGSRHUSMLIFDF-UHFFFAOYSA-N
MW266.03 g/mol
LogP2.83
Rot. Bonds2

About fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid

fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid (PubChem CID 178182539) has the molecular formula C6HF6O3P and a molecular weight of 266.03 g/mol. Its IUPAC name is fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid.

Molecular Properties

Compound Namefluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid
PubChem CID178182539
Molecular FormulaC6HF6O3P
Molecular Weight266.03 g/mol
Exact Mass265.96
IUPAC Namefluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid
SMILESO=P(O)(F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF6O3P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H,13,14)
InChIKeyWCGSRHUSMLIFDF-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.03
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[hydroxy-(2,3,4,5,6-pentafluorophenoxy)phosphinothioyl] dihydrogen phosphate
CID 91260360
[hydroperoxy-(2,3,4,5,6-pentafluorophenoxy)phosphinothioyl] (2,3,4,5,6-pentafluorophenyl) hydrogen phosphate
CID 90939737
diethyl (2,3,4,5,6-pentafluorophenyl) phosphate
CID 15396735
2,3,4,5,6-pentafluorophenol;phosphono dihydrogen phosphate
CID 175075413
fluoro(silyloxy)phosphinic acid
CID 172698525
fluoro(methoxy)phosphinic acid
CID 23235630
diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene
CID 155318803
2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
CID 3248816
(2,3,4,5,6-pentafluorophenyl) hydrogen sulfate
CID 21496730
copper;fluorophosphonic acid
CID 173104152
alumane;fluorophosphonic acid
CID 173163644
difluorophosphorylperoxy(fluoro)phosphinic acid
CID 175565069

Frequently Asked Questions

What is the IUPAC name of fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid?
The IUPAC name of fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid (CID 178182539) is fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid.
What is the SMILES notation for fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid?
The canonical SMILES for fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid is O=P(O)(F)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid?
The InChIKey is WCGSRHUSMLIFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF6O3P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H,13,14).
What are the key properties of fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid?
fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid has a molecular weight of 266.03 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(2,3,4,5,6-pentafluorophenoxy)phosphinic acid is sourced from PubChem (CID 178182539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).