2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone

C10H7BrFNO — CID 131008440

IUPAC2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone
SMILESO=C(CBr)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H7BrFNO/c11-5-10(14)9-3-6-1-2-7(12)4-8(6)13-9/h1-4,13H,5H2
InChIKeyFOORQDSXMFBGSF-UHFFFAOYSA-N
MW256.07 g/mol
LogP2.88
Rot. Bonds2

About 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone

2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone (PubChem CID 131008440) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone
PubChem CID131008440
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone
SMILESO=C(CBr)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H7BrFNO/c11-5-10(14)9-3-6-1-2-7(12)4-8(6)13-9/h1-4,13H,5H2
InChIKeyFOORQDSXMFBGSF-UHFFFAOYSA-N
XLogP2.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone (CID 131008440) is 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone is O=C(CBr)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone?
The InChIKey is FOORQDSXMFBGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c11-5-10(14)9-3-6-1-2-7(12)4-8(6)13-9/h1-4,13H,5H2.
What are the key properties of 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone?
2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone has a molecular weight of 256.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone is sourced from PubChem (CID 131008440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).