5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one

C12H13BrFNO — CID 24824339

IUPAC5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one
SMILESCCC1(CC)C(=O)Nc2c(F)cc(Br)cc21
InChIInChI=1S/C12H13BrFNO/c1-3-12(4-2)8-5-7(13)6-9(14)10(8)15-11(12)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyCCXASRNOPHEDJQ-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.60
Rot. Bonds2

About 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one

5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one (PubChem CID 24824339) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one
PubChem CID24824339
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one
SMILESCCC1(CC)C(=O)Nc2c(F)cc(Br)cc21
InChIInChI=1S/C12H13BrFNO/c1-3-12(4-2)8-5-7(13)6-9(14)10(8)15-11(12)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyCCXASRNOPHEDJQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 155365732
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6-chloro-1-(difluoromethyl)-4,4-diethyl-1-methyl-2H-isoquinolin-3-one
CID 130326981
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CID 82173628
5-bromo-3-hydroxy-7-methyl-3-(2-oxopropyl)-1H-indol-2-one
CID 52983472
6-bromo-4-fluoro-2,3-dihydro-1H-benzotriazole
CID 171067813
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7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one?
The IUPAC name of 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one (CID 24824339) is 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one?
The canonical SMILES for 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one is CCC1(CC)C(=O)Nc2c(F)cc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one?
The InChIKey is CCXASRNOPHEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-3-12(4-2)8-5-7(13)6-9(14)10(8)15-11(12)16/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one?
5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one has a molecular weight of 286.14 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one is sourced from PubChem (CID 24824339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).