5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C8H6FNO2 — CID 2741177

IUPAC5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1O
InChIInChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)
InChIKeyXYDTZHMQTYEJQN-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.81
Rot. Bonds

About 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 2741177) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID2741177
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1O
InChIInChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)
InChIKeyXYDTZHMQTYEJQN-UHFFFAOYSA-N
XLogP0.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 2741177) is 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1O.
What is the InChIKey of 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is XYDTZHMQTYEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12).
What are the key properties of 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 167.14 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 2741177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).