5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one

C16H8F2N2O2 — CID 135873274

IUPAC5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3ccc(F)cc23)=Nc2ccc(F)cc21
InChIInChI=1S/C16H8F2N2O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)14-15(21)10-6-8(18)2-4-12(10)19-14/h1-6,20,22H
InChIKeyQUUUPTBZBJKWQI-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.47
Rot. Bonds1

About 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one

5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 135873274) has the molecular formula C16H8F2N2O2 and a molecular weight of 298.25 g/mol. Its IUPAC name is 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID135873274
Molecular FormulaC16H8F2N2O2
Molecular Weight298.25 g/mol
Exact Mass298.06
IUPAC Name5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3ccc(F)cc23)=Nc2ccc(F)cc21
InChIInChI=1S/C16H8F2N2O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)14-15(21)10-6-8(18)2-4-12(10)19-14/h1-6,20,22H
InChIKeyQUUUPTBZBJKWQI-UHFFFAOYSA-N
XLogP3.47
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one (CID 135873274) is 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one is O=C1C(c2c(O)[nH]c3ccc(F)cc23)=Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is QUUUPTBZBJKWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N2O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)14-15(21)10-6-8(18)2-4-12(10)19-14/h1-6,20,22H.
What are the key properties of 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one?
5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 298.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135873274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).