2-fluoroindol-5-one

C8H4FNO — CID 174638483

IUPAC2-fluoroindol-5-one
SMILESO=C1C=CC2=NC(F)=CC2=C1
InChIInChI=1S/C8H4FNO/c9-8-4-5-3-6(11)1-2-7(5)10-8/h1-4H
InChIKeyZCWZXNJWBAEOSN-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.32
Rot. Bonds

About 2-fluoroindol-5-one

2-fluoroindol-5-one (PubChem CID 174638483) has the molecular formula C8H4FNO and a molecular weight of 149.12 g/mol. Its IUPAC name is 2-fluoroindol-5-one.

Molecular Properties

Compound Name2-fluoroindol-5-one
PubChem CID174638483
Molecular FormulaC8H4FNO
Molecular Weight149.12 g/mol
Exact Mass149.03
IUPAC Name2-fluoroindol-5-one
SMILESO=C1C=CC2=NC(F)=CC2=C1
InChIInChI=1S/C8H4FNO/c9-8-4-5-3-6(11)1-2-7(5)10-8/h1-4H
InChIKeyZCWZXNJWBAEOSN-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoroindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroindol-5-one?
The IUPAC name of 2-fluoroindol-5-one (CID 174638483) is 2-fluoroindol-5-one.
What is the SMILES notation for 2-fluoroindol-5-one?
The canonical SMILES for 2-fluoroindol-5-one is O=C1C=CC2=NC(F)=CC2=C1.
What is the InChIKey of 2-fluoroindol-5-one?
The InChIKey is ZCWZXNJWBAEOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO/c9-8-4-5-3-6(11)1-2-7(5)10-8/h1-4H.
What are the key properties of 2-fluoroindol-5-one?
2-fluoroindol-5-one has a molecular weight of 149.12 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroindol-5-one is sourced from PubChem (CID 174638483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).