7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one

C13H9FO2 — CID 172847715

IUPAC7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one
SMILESO=C1CCc2cccc3c(F)c(O)cc1c23
InChIInChI=1S/C13H9FO2/c14-13-8-3-1-2-7-4-5-10(15)9(12(7)8)6-11(13)16/h1-3,6,16H,4-5H2
InChIKeyXQPBHHPMNXJWOF-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.81
Rot. Bonds

About 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one

7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one (PubChem CID 172847715) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one.

Molecular Properties

Compound Name7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one
PubChem CID172847715
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one
SMILESO=C1CCc2cccc3c(F)c(O)cc1c23
InChIInChI=1S/C13H9FO2/c14-13-8-3-1-2-7-4-5-10(15)9(12(7)8)6-11(13)16/h1-3,6,16H,4-5H2
InChIKeyXQPBHHPMNXJWOF-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
The IUPAC name of 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one (CID 172847715) is 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one.
What is the SMILES notation for 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
The canonical SMILES for 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one is O=C1CCc2cccc3c(F)c(O)cc1c23.
What is the InChIKey of 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
The InChIKey is XQPBHHPMNXJWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2/c14-13-8-3-1-2-7-4-5-10(15)9(12(7)8)6-11(13)16/h1-3,6,16H,4-5H2.
What are the key properties of 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one has a molecular weight of 216.21 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one is sourced from PubChem (CID 172847715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).