1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone

C11H9ClFNO — CID 82268767

IUPAC1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(C)c2ccc(F)cc12
InChIInChI=1S/C11H9ClFNO/c1-6(15)10-8-5-7(13)3-4-9(8)14(2)11(10)12/h3-5H,1-2H3
InChIKeyWVSDRFCZYOSGGW-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.17
Rot. Bonds1

About 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone

1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone (PubChem CID 82268767) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
PubChem CID82268767
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(C)c2ccc(F)cc12
InChIInChI=1S/C11H9ClFNO/c1-6(15)10-8-5-7(13)3-4-9(8)14(2)11(10)12/h3-5H,1-2H3
InChIKeyWVSDRFCZYOSGGW-UHFFFAOYSA-N
XLogP3.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779
(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate
CID 67803265
1-butyl-2-chloro-5-fluoroindole-3-carboxylic acid
CID 82268795
3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one
CID 110273241
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone
CID 142518749
2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid
CID 151755048
1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
CID 115040554
1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
CID 82494938
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone (CID 82268767) is 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone is CC(=O)c1c(Cl)n(C)c2ccc(F)cc12.
What is the InChIKey of 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone?
The InChIKey is WVSDRFCZYOSGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-6(15)10-8-5-7(13)3-4-9(8)14(2)11(10)12/h3-5H,1-2H3.
What are the key properties of 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone?
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone has a molecular weight of 225.65 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 82268767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).