6-fluoro-2-(3-nitrophenyl)chromen-4-one

C15H8FNO4 — CID 21239768

IUPAC6-fluoro-2-(3-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12
InChIInChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H
InChIKeyQKZNNAUSAVZXNE-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.51
Rot. Bonds2

About 6-fluoro-2-(3-nitrophenyl)chromen-4-one

6-fluoro-2-(3-nitrophenyl)chromen-4-one (PubChem CID 21239768) has the molecular formula C15H8FNO4 and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-fluoro-2-(3-nitrophenyl)chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(3-nitrophenyl)chromen-4-one
PubChem CID21239768
Molecular FormulaC15H8FNO4
Molecular Weight285.23 g/mol
Exact Mass285.04
IUPAC Name6-fluoro-2-(3-nitrophenyl)chromen-4-one
SMILESO=c1cc(-c2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12
InChIInChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H
InChIKeyQKZNNAUSAVZXNE-UHFFFAOYSA-N
XLogP3.51
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-nitrophenyl)chromen-4-one?
The IUPAC name of 6-fluoro-2-(3-nitrophenyl)chromen-4-one (CID 21239768) is 6-fluoro-2-(3-nitrophenyl)chromen-4-one.
What is the SMILES notation for 6-fluoro-2-(3-nitrophenyl)chromen-4-one?
The canonical SMILES for 6-fluoro-2-(3-nitrophenyl)chromen-4-one is O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(3-nitrophenyl)chromen-4-one?
The InChIKey is QKZNNAUSAVZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H.
What are the key properties of 6-fluoro-2-(3-nitrophenyl)chromen-4-one?
6-fluoro-2-(3-nitrophenyl)chromen-4-one has a molecular weight of 285.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-nitrophenyl)chromen-4-one is sourced from PubChem (CID 21239768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).