5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one

C9H8FNO2 — CID 131358029

IUPAC5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CO
InChIInChI=1S/C9H8FNO2/c10-5-1-2-8-6(3-5)7(4-12)9(13)11-8/h1-3,7,12H,4H2,(H,11,13)
InChIKeyBLHCFEXDELQVBD-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.85
Rot. Bonds1

About 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one

5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one (PubChem CID 131358029) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
PubChem CID131358029
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CO
InChIInChI=1S/C9H8FNO2/c10-5-1-2-8-6(3-5)7(4-12)9(13)11-8/h1-3,7,12H,4H2,(H,11,13)
InChIKeyBLHCFEXDELQVBD-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-3-(hydroxymethyl)-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

Related Compounds

3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 130943924
3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 143719434
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
CID 106986781
4-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)butyl methanesulfonate
CID 86615155
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
CID 67837377
3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
CID 106986875
(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanol
CID 83752790
2-(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid
CID 82389067
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one (CID 131358029) is 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CO.
What is the InChIKey of 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one?
The InChIKey is BLHCFEXDELQVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-5-1-2-8-6(3-5)7(4-12)9(13)11-8/h1-3,7,12H,4H2,(H,11,13).
What are the key properties of 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one?
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one has a molecular weight of 181.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 131358029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).