1-(5-fluoro-3-hydroxyindol-1-yl)ethanone

C10H8FNO2 — CID 54290533

IUPAC1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
SMILESCC(=O)n1cc(O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
InChIKeyRXELUGHUFBBNHP-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.15
Rot. Bonds

About 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone

1-(5-fluoro-3-hydroxyindol-1-yl)ethanone (PubChem CID 54290533) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
PubChem CID54290533
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
SMILESCC(=O)n1cc(O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
InChIKeyRXELUGHUFBBNHP-UHFFFAOYSA-N
XLogP2.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3-hydroxyindol-1-yl)ethanone
CID 12825917
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-(3-hydroxy-6-methylindol-1-yl)ethanone
CID 163207084
1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide
CID 113212403
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
CID 113212446
1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477
1-[5-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]indol-1-yl]ethanone
CID 113212411
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
CID 113212472
N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide
CID 127045404

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone?
The IUPAC name of 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone (CID 54290533) is 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone is CC(=O)n1cc(O)c2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone?
The InChIKey is RXELUGHUFBBNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3.
What are the key properties of 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone?
1-(5-fluoro-3-hydroxyindol-1-yl)ethanone has a molecular weight of 193.18 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-hydroxyindol-1-yl)ethanone is sourced from PubChem (CID 54290533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).