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

C8H5BrFNO — CID 102193435

IUPAC3-bromo-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Br
InChIInChI=1S/C8H5BrFNO/c9-7-5-3-4(10)1-2-6(5)11-8(7)12/h1-3,7H,(H,11,12)
InChIKeyIPBLIIFDCKEZTC-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.21
Rot. Bonds

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

3-bromo-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 102193435) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-bromo-5-fluoro-1,3-dihydroindol-2-one
PubChem CID102193435
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name3-bromo-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Br
InChIInChI=1S/C8H5BrFNO/c9-7-5-3-4(10)1-2-6(5)11-8(7)12/h1-3,7H,(H,11,12)
InChIKeyIPBLIIFDCKEZTC-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
CID 106986875
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
CID 106986781
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036
5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
CID 43126295
3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-bromo-5-fluoro-1,3-dihydroindol-2-one (CID 102193435) is 3-bromo-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-bromo-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-bromo-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Br.
What is the InChIKey of 3-bromo-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is IPBLIIFDCKEZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-7-5-3-4(10)1-2-6(5)11-8(7)12/h1-3,7H,(H,11,12).
What are the key properties of 3-bromo-5-fluoro-1,3-dihydroindol-2-one?
3-bromo-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 230.04 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 102193435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).