5-hydroxynaphthalene-1,4-dione;molecular fluorine

C10H6F4O3 — CID 158904542

IUPAC5-hydroxynaphthalene-1,4-dione;molecular fluorine
SMILESFF.FF.O=C1C=CC(=O)c2c(O)cccc21
InChIInChI=1S/C10H6O3.2F2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;2*1-2/h1-5,12H;;
InChIKeyJFWNDTJCEDLGDV-UHFFFAOYSA-N
MW250.15 g/mol
LogP3.01
Rot. Bonds

About 5-hydroxynaphthalene-1,4-dione;molecular fluorine

5-hydroxynaphthalene-1,4-dione;molecular fluorine (PubChem CID 158904542) has the molecular formula C10H6F4O3 and a molecular weight of 250.15 g/mol. Its IUPAC name is 5-hydroxynaphthalene-1,4-dione;molecular fluorine.

Molecular Properties

Compound Name5-hydroxynaphthalene-1,4-dione;molecular fluorine
PubChem CID158904542
Molecular FormulaC10H6F4O3
Molecular Weight250.15 g/mol
Exact Mass250.03
IUPAC Name5-hydroxynaphthalene-1,4-dione;molecular fluorine
SMILESFF.FF.O=C1C=CC(=O)c2c(O)cccc21
InChIInChI=1S/C10H6O3.2F2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;2*1-2/h1-5,12H;;
InChIKeyJFWNDTJCEDLGDV-UHFFFAOYSA-N
XLogP3.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxynaphthalene-1,4-dione;molecular fluorine?
The IUPAC name of 5-hydroxynaphthalene-1,4-dione;molecular fluorine (CID 158904542) is 5-hydroxynaphthalene-1,4-dione;molecular fluorine.
What is the SMILES notation for 5-hydroxynaphthalene-1,4-dione;molecular fluorine?
The canonical SMILES for 5-hydroxynaphthalene-1,4-dione;molecular fluorine is FF.FF.O=C1C=CC(=O)c2c(O)cccc21.
What is the InChIKey of 5-hydroxynaphthalene-1,4-dione;molecular fluorine?
The InChIKey is JFWNDTJCEDLGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3.2F2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;2*1-2/h1-5,12H;;.
What are the key properties of 5-hydroxynaphthalene-1,4-dione;molecular fluorine?
5-hydroxynaphthalene-1,4-dione;molecular fluorine has a molecular weight of 250.15 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxynaphthalene-1,4-dione;molecular fluorine is sourced from PubChem (CID 158904542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).