4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole

C10H11BrFN — CID 172639292

IUPAC4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole
SMILESCCN1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C10H11BrFN/c1-2-13-6-5-7-8(11)3-4-9(12)10(7)13/h3-4H,2,5-6H2,1H3
InChIKeyRFOOYNVZMXXZBC-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.97
Rot. Bonds1

About 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole

4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole (PubChem CID 172639292) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole
PubChem CID172639292
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole
SMILESCCN1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C10H11BrFN/c1-2-13-6-5-7-8(11)3-4-9(12)10(7)13/h3-4H,2,5-6H2,1H3
InChIKeyRFOOYNVZMXXZBC-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 106269330
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CID 84599911
4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole
CID 90764261
8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128663492
5-bromo-8-fluoro-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 75477685
6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
CID 168515676
5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
CID 139398741
1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 82380433
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 114166432
1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole
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(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
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2-(5-bromo-8-fluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 169224265

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole?
The IUPAC name of 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole (CID 172639292) is 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole.
What is the SMILES notation for 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole?
The canonical SMILES for 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole is CCN1CCc2c(Br)ccc(F)c21.
What is the InChIKey of 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole?
The InChIKey is RFOOYNVZMXXZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-2-13-6-5-7-8(11)3-4-9(12)10(7)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole?
4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole has a molecular weight of 244.11 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-7-fluoro-2,3-dihydroindole is sourced from PubChem (CID 172639292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).