5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one

C13H16FNO — CID 106986781

IUPAC5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
SMILESCC(C)C(C)C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c1-7(2)8(3)12-10-6-9(14)4-5-11(10)15-13(12)16/h4-8,12H,1-3H3,(H,15,16)
InChIKeyBOUJQLUJRCBELK-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.15
Rot. Bonds2

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

5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 106986781) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
PubChem CID106986781
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
SMILESCC(C)C(C)C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c1-7(2)8(3)12-10-6-9(14)4-5-11(10)15-13(12)16/h4-8,12H,1-3H3,(H,15,16)
InChIKeyBOUJQLUJRCBELK-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
CID 106986875
3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 106986831
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43692702
5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 143719434
3-(3,3-dimethylbutan-2-yl)-5-(trifluoromethoxy)-1,3-dihydroindol-2-one
CID 106987291
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one (CID 106986781) is 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one is CC(C)C(C)C1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is BOUJQLUJRCBELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-7(2)8(3)12-10-6-9(14)4-5-11(10)15-13(12)16/h4-8,12H,1-3H3,(H,15,16).
What are the key properties of 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one?
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 221.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).