1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone

C11H9BrFNO — CID 171157517

IUPAC1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2c(Br)ccc(F)c12
InChIInChI=1S/C11H9BrFNO/c1-6(15)7-5-14(2)11-8(12)3-4-9(13)10(7)11/h3-5H,1-2H3
InChIKeyULSJKNWNNHDULQ-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.28
Rot. Bonds1

About 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone

1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone (PubChem CID 171157517) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone
PubChem CID171157517
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2c(Br)ccc(F)c12
InChIInChI=1S/C11H9BrFNO/c1-6(15)7-5-14(2)11-8(12)3-4-9(13)10(7)11/h3-5H,1-2H3
InChIKeyULSJKNWNNHDULQ-UHFFFAOYSA-N
XLogP3.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone (CID 171157517) is 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone is CC(=O)c1cn(C)c2c(Br)ccc(F)c12.
What is the InChIKey of 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone?
The InChIKey is ULSJKNWNNHDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-6(15)7-5-14(2)11-8(12)3-4-9(13)10(7)11/h3-5H,1-2H3.
What are the key properties of 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone?
1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone has a molecular weight of 270.10 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-4-fluoro-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 171157517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).