4-fluoroindol-2-one

C8H4FNO — CID 46739859

IUPAC4-fluoroindol-2-one
SMILESO=C1C=c2c(F)cccc2=N1
InChIInChI=1S/C8H4FNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-4H
InChIKeyLMYXVAQEUGSOLJ-UHFFFAOYSA-N
MW149.12 g/mol
LogP-0.23
Rot. Bonds

About 4-fluoroindol-2-one

4-fluoroindol-2-one (PubChem CID 46739859) has the molecular formula C8H4FNO and a molecular weight of 149.12 g/mol. Its IUPAC name is 4-fluoroindol-2-one.

Molecular Properties

Compound Name4-fluoroindol-2-one
PubChem CID46739859
Molecular FormulaC8H4FNO
Molecular Weight149.12 g/mol
Exact Mass149.03
IUPAC Name4-fluoroindol-2-one
SMILESO=C1C=c2c(F)cccc2=N1
InChIInChI=1S/C8H4FNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-4H
InChIKeyLMYXVAQEUGSOLJ-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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Related Compounds

Indol-2-one
CID 17904787
6-Bromoindole-2-one
CID 22038270
1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
5-Bromoindol-2-one
CID 46739842
6-Chloroindole-2-one
CID 46739848
Benzazoninone
CID 20269004
Cyclopenta[c]quinolin-4-one
CID 20502643
3-Methyl-oxoindole
CID 21477845
Indolone-1-oxide
CID 21665805
Cyclopenta-(b)-pyridinone
CID 129707027

Frequently Asked Questions

What is the IUPAC name of 4-fluoroindol-2-one?
The IUPAC name of 4-fluoroindol-2-one (CID 46739859) is 4-fluoroindol-2-one.
What is the SMILES notation for 4-fluoroindol-2-one?
The canonical SMILES for 4-fluoroindol-2-one is O=C1C=c2c(F)cccc2=N1.
What is the InChIKey of 4-fluoroindol-2-one?
The InChIKey is LMYXVAQEUGSOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-4H.
What are the key properties of 4-fluoroindol-2-one?
4-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 4-fluoroindol-2-one is sourced from PubChem (CID 46739859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).