6-fluoroindol-2-one

C8H4FNO — CID 45108281

IUPAC6-fluoroindol-2-one
SMILESO=C1C=c2ccc(F)cc2=N1
InChIInChI=1S/C8H4FNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H
InChIKeyOKAVDWUAWALUGW-UHFFFAOYSA-N
MW149.12 g/mol
LogP-0.23
Rot. Bonds

About 6-fluoroindol-2-one

6-fluoroindol-2-one (PubChem CID 45108281) has the molecular formula C8H4FNO and a molecular weight of 149.12 g/mol. Its IUPAC name is 6-fluoroindol-2-one.

Molecular Properties

Compound Name6-fluoroindol-2-one
PubChem CID45108281
Molecular FormulaC8H4FNO
Molecular Weight149.12 g/mol
Exact Mass149.03
IUPAC Name6-fluoroindol-2-one
SMILESO=C1C=c2ccc(F)cc2=N1
InChIInChI=1S/C8H4FNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H
InChIKeyOKAVDWUAWALUGW-UHFFFAOYSA-N
XLogP-0.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoroindol-2-one?
The IUPAC name of 6-fluoroindol-2-one (CID 45108281) is 6-fluoroindol-2-one.
What is the SMILES notation for 6-fluoroindol-2-one?
The canonical SMILES for 6-fluoroindol-2-one is O=C1C=c2ccc(F)cc2=N1.
What is the InChIKey of 6-fluoroindol-2-one?
The InChIKey is OKAVDWUAWALUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H.
What are the key properties of 6-fluoroindol-2-one?
6-fluoroindol-2-one has a molecular weight of 149.12 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroindol-2-one is sourced from PubChem (CID 45108281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).