1-(6-fluoro-1-methylindol-3-yl)ethanone

C11H10FNO — CID 16751568

IUPAC1-(6-fluoro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2cc(F)ccc12
InChIInChI=1S/C11H10FNO/c1-7(14)10-6-13(2)11-5-8(12)3-4-9(10)11/h3-6H,1-2H3
InChIKeySTHCMNUGFUHWAX-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.52
Rot. Bonds1

About 1-(6-fluoro-1-methylindol-3-yl)ethanone

1-(6-fluoro-1-methylindol-3-yl)ethanone (PubChem CID 16751568) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-(6-fluoro-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-1-methylindol-3-yl)ethanone
PubChem CID16751568
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name1-(6-fluoro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2cc(F)ccc12
InChIInChI=1S/C11H10FNO/c1-7(14)10-6-13(2)11-5-8(12)3-4-9(10)11/h3-6H,1-2H3
InChIKeySTHCMNUGFUHWAX-UHFFFAOYSA-N
XLogP2.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone
CID 83917541
3-acetyl-1-methylindole-6-carboxylic acid
CID 59337680
1-(1-methyl-6-methylsulfonylindol-3-yl)ethanone
CID 83919780
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
3-chloro-6-fluoro-1-methylindole
CID 153370485
1-(5-hydroxy-1-methylindol-3-yl)ethanone
CID 23552929
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
3-(6-fluoro-1-methylindol-3-yl)-2,2-dimethylpropanoic acid
CID 117196303
1-(5-fluoro-1-methylsulfonylindol-3-yl)ethanone
CID 118447151
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide
CID 89434813
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(6-fluoro-1-methylindol-3-yl)ethanone (CID 16751568) is 1-(6-fluoro-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-1-methylindol-3-yl)ethanone is CC(=O)c1cn(C)c2cc(F)ccc12.
What is the InChIKey of 1-(6-fluoro-1-methylindol-3-yl)ethanone?
The InChIKey is STHCMNUGFUHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-7(14)10-6-13(2)11-5-8(12)3-4-9(10)11/h3-6H,1-2H3.
What are the key properties of 1-(6-fluoro-1-methylindol-3-yl)ethanone?
1-(6-fluoro-1-methylindol-3-yl)ethanone has a molecular weight of 191.20 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 16751568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).