2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione

C14H9FO4 — CID 154674974

IUPAC2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione
SMILESCC(F)c1cc2c(o1)-c1cccc(O)c1C(=O)C2=O
InChIInChI=1S/C14H9FO4/c1-6(15)10-5-8-12(17)13(18)11-7(14(8)19-10)3-2-4-9(11)16/h2-6,16H,1H3
InChIKeyWLXWYRPJAQELLI-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.06
Rot. Bonds1

About 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione

2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione (PubChem CID 154674974) has the molecular formula C14H9FO4 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione
PubChem CID154674974
Molecular FormulaC14H9FO4
Molecular Weight260.22 g/mol
Exact Mass260.05
IUPAC Name2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione
SMILESCC(F)c1cc2c(o1)-c1cccc(O)c1C(=O)C2=O
InChIInChI=1S/C14H9FO4/c1-6(15)10-5-8-12(17)13(18)11-7(14(8)19-10)3-2-4-9(11)16/h2-6,16H,1H3
InChIKeyWLXWYRPJAQELLI-UHFFFAOYSA-N
XLogP3.06
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione
CID 154674970
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
CID 14861205
5-hydroxy-1-(1-hydroxyethyl)-3-methylbenzo[f][2]benzofuran-4,9-dione
CID 10038862
8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
CID 11132493
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
CID 158452185
CID 158452185
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione
CID 177435085
5-hydroxynaphthalene-1,4-dione;propan-2-ol
CID 174921085
2-tert-butyl-9-hydroxybenzo[g][1,3]benzoxazole-4,5-dione
CID 118211434
3-hydroxy-2-(9-oxofluoren-4-yl)chromen-4-one
CID 22239057

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione (CID 154674974) is 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione is CC(F)c1cc2c(o1)-c1cccc(O)c1C(=O)C2=O.
What is the InChIKey of 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
The InChIKey is WLXWYRPJAQELLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO4/c1-6(15)10-5-8-12(17)13(18)11-7(14(8)19-10)3-2-4-9(11)16/h2-6,16H,1H3.
What are the key properties of 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione has a molecular weight of 260.22 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-6-hydroxybenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 154674974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).