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

C17H24FNO — CID 106987039

IUPAC5-fluoro-3-nonyl-1,3-dihydroindol-2-one
SMILESCCCCCCCCCC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H24FNO/c1-2-3-4-5-6-7-8-9-14-15-12-13(18)10-11-16(15)19-17(14)20/h10-12,14H,2-9H2,1H3,(H,19,20)
InChIKeyUNUBVLDLRIXRIM-UHFFFAOYSA-N
MW277.38 g/mol
LogP5.00
Rot. Bonds8

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

5-fluoro-3-nonyl-1,3-dihydroindol-2-one (PubChem CID 106987039) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 5-fluoro-3-nonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-nonyl-1,3-dihydroindol-2-one
PubChem CID106987039
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name5-fluoro-3-nonyl-1,3-dihydroindol-2-one
SMILESCCCCCCCCCC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H24FNO/c1-2-3-4-5-6-7-8-9-14-15-12-13(18)10-11-16(15)19-17(14)20/h10-12,14H,2-9H2,1H3,(H,19,20)
InChIKeyUNUBVLDLRIXRIM-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-3-nonyl-1,3-dihydroindol-2-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 5-fluoro-3-nonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-nonyl-1,3-dihydroindol-2-one (CID 106987039) is 5-fluoro-3-nonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-nonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-nonyl-1,3-dihydroindol-2-one is CCCCCCCCCC1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-nonyl-1,3-dihydroindol-2-one?
The InChIKey is UNUBVLDLRIXRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-2-3-4-5-6-7-8-9-14-15-12-13(18)10-11-16(15)19-17(14)20/h10-12,14H,2-9H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-3-nonyl-1,3-dihydroindol-2-one?
5-fluoro-3-nonyl-1,3-dihydroindol-2-one has a molecular weight of 277.38 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-nonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106987039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).