3-(4-amino-2-fluorophenyl)chromen-4-one

C15H10FNO2 — CID 167449525

IUPAC3-(4-amino-2-fluorophenyl)chromen-4-one
SMILESNc1ccc(-c2coc3ccccc3c2=O)c(F)c1
InChIInChI=1S/C15H10FNO2/c16-13-7-9(17)5-6-10(13)12-8-19-14-4-2-1-3-11(14)15(12)18/h1-8H,17H2
InChIKeyOGGDQCWDUPFSDG-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.18
Rot. Bonds1

About 3-(4-amino-2-fluorophenyl)chromen-4-one

3-(4-amino-2-fluorophenyl)chromen-4-one (PubChem CID 167449525) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)chromen-4-one
PubChem CID167449525
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name3-(4-amino-2-fluorophenyl)chromen-4-one
SMILESNc1ccc(-c2coc3ccccc3c2=O)c(F)c1
InChIInChI=1S/C15H10FNO2/c16-13-7-9(17)5-6-10(13)12-8-19-14-4-2-1-3-11(14)15(12)18/h1-8H,17H2
InChIKeyOGGDQCWDUPFSDG-UHFFFAOYSA-N
XLogP3.18
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)chromen-4-one?
The IUPAC name of 3-(4-amino-2-fluorophenyl)chromen-4-one (CID 167449525) is 3-(4-amino-2-fluorophenyl)chromen-4-one.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)chromen-4-one?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)chromen-4-one is Nc1ccc(-c2coc3ccccc3c2=O)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)chromen-4-one?
The InChIKey is OGGDQCWDUPFSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-13-7-9(17)5-6-10(13)12-8-19-14-4-2-1-3-11(14)15(12)18/h1-8H,17H2.
What are the key properties of 3-(4-amino-2-fluorophenyl)chromen-4-one?
3-(4-amino-2-fluorophenyl)chromen-4-one has a molecular weight of 255.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)chromen-4-one is sourced from PubChem (CID 167449525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).