2-(4-fluoroanilino)naphthalene-1,4-dione

C16H10FNO2 — CID 15537875

IUPAC2-(4-fluoroanilino)naphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccc(F)cc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10FNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H
InChIKeyZOXJEXYGNDMQLG-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.20
Rot. Bonds2

About 2-(4-fluoroanilino)naphthalene-1,4-dione

2-(4-fluoroanilino)naphthalene-1,4-dione (PubChem CID 15537875) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-(4-fluoroanilino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(4-fluoroanilino)naphthalene-1,4-dione
PubChem CID15537875
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name2-(4-fluoroanilino)naphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccc(F)cc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10FNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H
InChIKeyZOXJEXYGNDMQLG-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.20
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 2-(4-fluoroanilino)naphthalene-1,4-dione?
The IUPAC name of 2-(4-fluoroanilino)naphthalene-1,4-dione (CID 15537875) is 2-(4-fluoroanilino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(4-fluoroanilino)naphthalene-1,4-dione?
The canonical SMILES for 2-(4-fluoroanilino)naphthalene-1,4-dione is O=C1C=C(Nc2ccc(F)cc2)C(=O)c2ccccc21.
What is the InChIKey of 2-(4-fluoroanilino)naphthalene-1,4-dione?
The InChIKey is ZOXJEXYGNDMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H.
What are the key properties of 2-(4-fluoroanilino)naphthalene-1,4-dione?
2-(4-fluoroanilino)naphthalene-1,4-dione has a molecular weight of 267.26 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)naphthalene-1,4-dione is sourced from PubChem (CID 15537875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).