6-fluoro-4-hydroxychromen-2-one

C9H5FO3 — CID 54691406

IUPAC6-fluoro-4-hydroxychromen-2-one
SMILESO=c1cc(O)c2cc(F)ccc2o1
InChIInChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKeyJCOYNGQUPPGRNB-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.64
Rot. Bonds

About 6-fluoro-4-hydroxychromen-2-one

6-fluoro-4-hydroxychromen-2-one (PubChem CID 54691406) has the molecular formula C9H5FO3 and a molecular weight of 180.13 g/mol. Its IUPAC name is 6-fluoro-4-hydroxychromen-2-one.

Molecular Properties

Compound Name6-fluoro-4-hydroxychromen-2-one
PubChem CID54691406
Molecular FormulaC9H5FO3
Molecular Weight180.13 g/mol
Exact Mass180.02
IUPAC Name6-fluoro-4-hydroxychromen-2-one
SMILESO=c1cc(O)c2cc(F)ccc2o1
InChIInChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKeyJCOYNGQUPPGRNB-UHFFFAOYSA-N
XLogP1.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-hydroxychromen-2-one?
The IUPAC name of 6-fluoro-4-hydroxychromen-2-one (CID 54691406) is 6-fluoro-4-hydroxychromen-2-one.
What is the SMILES notation for 6-fluoro-4-hydroxychromen-2-one?
The canonical SMILES for 6-fluoro-4-hydroxychromen-2-one is O=c1cc(O)c2cc(F)ccc2o1.
What is the InChIKey of 6-fluoro-4-hydroxychromen-2-one?
The InChIKey is JCOYNGQUPPGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H.
What are the key properties of 6-fluoro-4-hydroxychromen-2-one?
6-fluoro-4-hydroxychromen-2-one has a molecular weight of 180.13 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-hydroxychromen-2-one is sourced from PubChem (CID 54691406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).