7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one

C11H11BrFNO — CID 106702167

IUPAC7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one
SMILESCCC1(C)C(=O)Nc2c(Br)cc(F)cc21
InChIInChI=1S/C11H11BrFNO/c1-3-11(2)7-4-6(13)5-8(12)9(7)14-10(11)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeySHTXVXAGTIBREL-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.21
Rot. Bonds1

About 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one

7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one (PubChem CID 106702167) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one
PubChem CID106702167
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one
SMILESCCC1(C)C(=O)Nc2c(Br)cc(F)cc21
InChIInChI=1S/C11H11BrFNO/c1-3-11(2)7-4-6(13)5-8(12)9(7)14-10(11)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeySHTXVXAGTIBREL-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
CID 106702087
7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole
CID 106701962
3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
CID 106701849
7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
CID 82190643
5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one
CID 24824339
7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701792
3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one
CID 106702156
1,2-dibromo-3-ethyl-5-fluorobenzene
CID 118830275
2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 103821056
4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 115510079
1-(2-bromo-4-fluorophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946553

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one?
The IUPAC name of 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one (CID 106702167) is 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one.
What is the SMILES notation for 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one?
The canonical SMILES for 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one is CCC1(C)C(=O)Nc2c(Br)cc(F)cc21.
What is the InChIKey of 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one?
The InChIKey is SHTXVXAGTIBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-3-11(2)7-4-6(13)5-8(12)9(7)14-10(11)15/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one?
7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one has a molecular weight of 272.12 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one is sourced from PubChem (CID 106702167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).