1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone

C10H9BrFNO — CID 82380433

IUPAC1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c1ccc(Br)c2F
InChIInChI=1S/C10H9BrFNO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3
InChIKeyCTBFANKUYPZXKX-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.50
Rot. Bonds

About 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone

1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 82380433) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone
PubChem CID82380433
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c1ccc(Br)c2F
InChIInChI=1S/C10H9BrFNO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3
InChIKeyCTBFANKUYPZXKX-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
CID 139398741
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid
CID 118867479
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
CID 14059145
1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
CID 10614135
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone (CID 82380433) is 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2c1ccc(Br)c2F.
What is the InChIKey of 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is CTBFANKUYPZXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone?
1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 258.09 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 82380433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).