1-(1-acetyl-4-fluoroindol-3-yl)ethanone

C12H10FNO2 — CID 141379951

IUPAC1-(1-acetyl-4-fluoroindol-3-yl)ethanone
SMILESCC(=O)c1cn(C(C)=O)c2cccc(F)c12
InChIInChI=1S/C12H10FNO2/c1-7(15)9-6-14(8(2)16)11-5-3-4-10(13)12(9)11/h3-6H,1-2H3
InChIKeyABSPJNVGXWYMTG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.64
Rot. Bonds1

About 1-(1-acetyl-4-fluoroindol-3-yl)ethanone

1-(1-acetyl-4-fluoroindol-3-yl)ethanone (PubChem CID 141379951) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-(1-acetyl-4-fluoroindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-4-fluoroindol-3-yl)ethanone
PubChem CID141379951
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Name1-(1-acetyl-4-fluoroindol-3-yl)ethanone
SMILESCC(=O)c1cn(C(C)=O)c2cccc(F)c12
InChIInChI=1S/C12H10FNO2/c1-7(15)9-6-14(8(2)16)11-5-3-4-10(13)12(9)11/h3-6H,1-2H3
InChIKeyABSPJNVGXWYMTG-UHFFFAOYSA-N
XLogP2.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Xlr 11
CID 57501498
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
Ethanone, 1-(1H-indol-1-yl)-
CID 68470
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
Jwh 203
CID 44397500
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-4-fluoroindol-3-yl)ethanone?
The IUPAC name of 1-(1-acetyl-4-fluoroindol-3-yl)ethanone (CID 141379951) is 1-(1-acetyl-4-fluoroindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-4-fluoroindol-3-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-4-fluoroindol-3-yl)ethanone is CC(=O)c1cn(C(C)=O)c2cccc(F)c12.
What is the InChIKey of 1-(1-acetyl-4-fluoroindol-3-yl)ethanone?
The InChIKey is ABSPJNVGXWYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-7(15)9-6-14(8(2)16)11-5-3-4-10(13)12(9)11/h3-6H,1-2H3.
What are the key properties of 1-(1-acetyl-4-fluoroindol-3-yl)ethanone?
1-(1-acetyl-4-fluoroindol-3-yl)ethanone has a molecular weight of 219.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-4-fluoroindol-3-yl)ethanone is sourced from PubChem (CID 141379951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).