1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone

C17H11ClF3NO — CID 132961660

IUPAC1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone
SMILESCC(=O)n1c(-c2ccccc2)c(C(F)(F)F)c2ccc(Cl)cc21
InChIInChI=1S/C17H11ClF3NO/c1-10(23)22-14-9-12(18)7-8-13(14)15(17(19,20)21)16(22)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyOQBMABCKVNGAQI-UHFFFAOYSA-N
MW337.73 g/mol
LogP5.64
Rot. Bonds1

About 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone

1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone (PubChem CID 132961660) has the molecular formula C17H11ClF3NO and a molecular weight of 337.73 g/mol. Its IUPAC name is 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone
PubChem CID132961660
Molecular FormulaC17H11ClF3NO
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone
SMILESCC(=O)n1c(-c2ccccc2)c(C(F)(F)F)c2ccc(Cl)cc21
InChIInChI=1S/C17H11ClF3NO/c1-10(23)22-14-9-12(18)7-8-13(14)15(17(19,20)21)16(22)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyOQBMABCKVNGAQI-UHFFFAOYSA-N
XLogP5.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.73
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-3-hydroxy-2-phenylindol-1-yl)ethanone
CID 68692517
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutanoic acid
CID 84642675
6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-4,4,4-trifluorobut-2-en-2-yl]indole;ethane
CID 145022392
methyl 5-[(6-chloro-1-methyl-2-phenylindol-3-yl)methyl]furan-2-carboxylate
CID 69096820
1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336522
(1-acetyl-6-nitro-2-phenylindol-3-yl) benzoate
CID 2749014
ethyl 5-chloro-2-(cyclobuten-1-yl)-3-(trifluoromethyl)indole-1-carboxylate
CID 76962654
ethyl 1-acetyl-3-amino-6-chloroindole-2-carboxylate
CID 69007483
2-acetyl-7-chloro-1-phenylquinolin-4-one
CID 142701712
[6-chloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-phenylmethanone
CID 53248308
methyl 1-acetyl-3-methyl-2-phenylindole-5-carboxylate
CID 102028797

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone?
The IUPAC name of 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone (CID 132961660) is 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone is CC(=O)n1c(-c2ccccc2)c(C(F)(F)F)c2ccc(Cl)cc21.
What is the InChIKey of 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone?
The InChIKey is OQBMABCKVNGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO/c1-10(23)22-14-9-12(18)7-8-13(14)15(17(19,20)21)16(22)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone?
1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone has a molecular weight of 337.73 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone is sourced from PubChem (CID 132961660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).