5-fluoro-3-(3-fluorophenyl)chromen-4-one

C15H8F2O2 — CID 123336673

IUPAC5-fluoro-3-(3-fluorophenyl)chromen-4-one
SMILESO=c1c(-c2cccc(F)c2)coc2cccc(F)c12
InChIInChI=1S/C15H8F2O2/c16-10-4-1-3-9(7-10)11-8-19-13-6-2-5-12(17)14(13)15(11)18/h1-8H
InChIKeyHPIATSKIWLGVFF-UHFFFAOYSA-N
MW258.22 g/mol
LogP3.74
Rot. Bonds1

About 5-fluoro-3-(3-fluorophenyl)chromen-4-one

5-fluoro-3-(3-fluorophenyl)chromen-4-one (PubChem CID 123336673) has the molecular formula C15H8F2O2 and a molecular weight of 258.22 g/mol. Its IUPAC name is 5-fluoro-3-(3-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name5-fluoro-3-(3-fluorophenyl)chromen-4-one
PubChem CID123336673
Molecular FormulaC15H8F2O2
Molecular Weight258.22 g/mol
Exact Mass258.05
IUPAC Name5-fluoro-3-(3-fluorophenyl)chromen-4-one
SMILESO=c1c(-c2cccc(F)c2)coc2cccc(F)c12
InChIInChI=1S/C15H8F2O2/c16-10-4-1-3-9(7-10)11-8-19-13-6-2-5-12(17)14(13)15(11)18/h1-8H
InChIKeyHPIATSKIWLGVFF-UHFFFAOYSA-N
XLogP3.74
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The IUPAC name of 5-fluoro-3-(3-fluorophenyl)chromen-4-one (CID 123336673) is 5-fluoro-3-(3-fluorophenyl)chromen-4-one.
What is the SMILES notation for 5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The canonical SMILES for 5-fluoro-3-(3-fluorophenyl)chromen-4-one is O=c1c(-c2cccc(F)c2)coc2cccc(F)c12.
What is the InChIKey of 5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The InChIKey is HPIATSKIWLGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2O2/c16-10-4-1-3-9(7-10)11-8-19-13-6-2-5-12(17)14(13)15(11)18/h1-8H.
What are the key properties of 5-fluoro-3-(3-fluorophenyl)chromen-4-one?
5-fluoro-3-(3-fluorophenyl)chromen-4-one has a molecular weight of 258.22 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-fluorophenyl)chromen-4-one is sourced from PubChem (CID 123336673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).