(2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite

C14H7FO4 — CID 22743473

IUPAC(2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite
SMILESO=C1c2ccccc2C(=O)c2c1ccc(O)c2OF
InChIInChI=1S/C14H7FO4/c15-19-14-10(16)6-5-9-11(14)13(18)8-4-2-1-3-7(8)12(9)17/h1-6,16H
InChIKeyOOUZLFYNNMZISR-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.43
Rot. Bonds1

About (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite

(2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite (PubChem CID 22743473) has the molecular formula C14H7FO4 and a molecular weight of 258.20 g/mol. Its IUPAC name is (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite.

Molecular Properties

Compound Name(2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite
PubChem CID22743473
Molecular FormulaC14H7FO4
Molecular Weight258.20 g/mol
Exact Mass258.03
IUPAC Name(2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite
SMILESO=C1c2ccccc2C(=O)c2c1ccc(O)c2OF
InChIInChI=1S/C14H7FO4/c15-19-14-10(16)6-5-9-11(14)13(18)8-4-2-1-3-7(8)12(9)17/h1-6,16H
InChIKeyOOUZLFYNNMZISR-UHFFFAOYSA-N
XLogP2.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite?
The IUPAC name of (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite (CID 22743473) is (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite.
What is the SMILES notation for (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite?
The canonical SMILES for (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite is O=C1c2ccccc2C(=O)c2c1ccc(O)c2OF.
What is the InChIKey of (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite?
The InChIKey is OOUZLFYNNMZISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FO4/c15-19-14-10(16)6-5-9-11(14)13(18)8-4-2-1-3-7(8)12(9)17/h1-6,16H.
What are the key properties of (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite?
(2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite has a molecular weight of 258.20 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-9,10-dioxoanthracen-1-yl) hypofluorite is sourced from PubChem (CID 22743473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).