1-(4-fluoro-1H-indol-7-yl)ethanone

C10H8FNO — CID 18519733

IUPAC1-(4-fluoro-1H-indol-7-yl)ethanone
SMILESCC(=O)c1ccc(F)c2cc[nH]c12
InChIInChI=1S/C10H8FNO/c1-6(13)7-2-3-9(11)8-4-5-12-10(7)8/h2-5,12H,1H3
InChIKeyDVSWFQDZXLLGNY-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.51
Rot. Bonds1

About 1-(4-fluoro-1H-indol-7-yl)ethanone

1-(4-fluoro-1H-indol-7-yl)ethanone (PubChem CID 18519733) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-7-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-7-yl)ethanone
PubChem CID18519733
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name1-(4-fluoro-1H-indol-7-yl)ethanone
SMILESCC(=O)c1ccc(F)c2cc[nH]c12
InChIInChI=1S/C10H8FNO/c1-6(13)7-2-3-9(11)8-4-5-12-10(7)8/h2-5,12H,1H3
InChIKeyDVSWFQDZXLLGNY-UHFFFAOYSA-N
XLogP2.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N'-hydroxy-1H-indole-7-carboximidamide
CID 72506348
1-(4-fluoro-2,3-dimethylphenyl)ethanone
CID 118993213
1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
CID 171005543
1-(4-fluoro-2-hydroxy-3-iodophenyl)ethanone
CID 171015937
1-(8-fluoroisoquinolin-5-yl)ethanone
CID 82576116
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
(7-fluoro-1H-indol-4-yl)boronic acid
CID 119085742
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
(7-bromo-5-fluoro-1H-indol-4-yl) acetate
CID 170790781
[5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate
CID 71519356
1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
CID 171005984
1-(4-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 123295309

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-7-yl)ethanone?
The IUPAC name of 1-(4-fluoro-1H-indol-7-yl)ethanone (CID 18519733) is 1-(4-fluoro-1H-indol-7-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-1H-indol-7-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-1H-indol-7-yl)ethanone is CC(=O)c1ccc(F)c2cc[nH]c12.
What is the InChIKey of 1-(4-fluoro-1H-indol-7-yl)ethanone?
The InChIKey is DVSWFQDZXLLGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6(13)7-2-3-9(11)8-4-5-12-10(7)8/h2-5,12H,1H3.
What are the key properties of 1-(4-fluoro-1H-indol-7-yl)ethanone?
1-(4-fluoro-1H-indol-7-yl)ethanone has a molecular weight of 177.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-7-yl)ethanone is sourced from PubChem (CID 18519733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).