2-fluorobenzene-1,4-diol;phosphoric acid

C6H8FO6P — CID 131985559

IUPAC2-fluorobenzene-1,4-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO2.H3O4P/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3,8-9H;(H3,1,2,3,4)
InChIKeyXDTVZQIHUHDKCB-UHFFFAOYSA-N
MW226.10 g/mol
LogP0.31
Rot. Bonds

About 2-fluorobenzene-1,4-diol;phosphoric acid

2-fluorobenzene-1,4-diol;phosphoric acid (PubChem CID 131985559) has the molecular formula C6H8FO6P and a molecular weight of 226.10 g/mol. Its IUPAC name is 2-fluorobenzene-1,4-diol;phosphoric acid.

Molecular Properties

Compound Name2-fluorobenzene-1,4-diol;phosphoric acid
PubChem CID131985559
Molecular FormulaC6H8FO6P
Molecular Weight226.10 g/mol
Exact Mass226.00
IUPAC Name2-fluorobenzene-1,4-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO2.H3O4P/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3,8-9H;(H3,1,2,3,4)
InChIKeyXDTVZQIHUHDKCB-UHFFFAOYSA-N
XLogP0.31
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzene-1,4-diol;phosphoric acid?
The IUPAC name of 2-fluorobenzene-1,4-diol;phosphoric acid (CID 131985559) is 2-fluorobenzene-1,4-diol;phosphoric acid.
What is the SMILES notation for 2-fluorobenzene-1,4-diol;phosphoric acid?
The canonical SMILES for 2-fluorobenzene-1,4-diol;phosphoric acid is O=P(O)(O)O.Oc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluorobenzene-1,4-diol;phosphoric acid?
The InChIKey is XDTVZQIHUHDKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2.H3O4P/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3,8-9H;(H3,1,2,3,4).
What are the key properties of 2-fluorobenzene-1,4-diol;phosphoric acid?
2-fluorobenzene-1,4-diol;phosphoric acid has a molecular weight of 226.10 g/mol, XLogP of 0.31, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzene-1,4-diol;phosphoric acid is sourced from PubChem (CID 131985559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).