1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone

C13H12F3NO — CID 117119559

IUPAC1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone
SMILESCCn1cc(C(C)=O)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H12F3NO/c1-3-17-7-9(8(2)18)12-10(13(14,15)16)5-4-6-11(12)17/h4-7H,3H2,1-2H3
InChIKeyFGRNOOAMWUEYOO-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.88
Rot. Bonds2

About 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone

1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone (PubChem CID 117119559) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone
PubChem CID117119559
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone
SMILESCCn1cc(C(C)=O)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H12F3NO/c1-3-17-7-9(8(2)18)12-10(13(14,15)16)5-4-6-11(12)17/h4-7H,3H2,1-2H3
InChIKeyFGRNOOAMWUEYOO-UHFFFAOYSA-N
XLogP3.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethyl-4-methylindol-3-yl)ethanone
CID 117119610
3-[1-ethyl-4-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117119580
1-propan-2-yl-4-(trifluoromethyl)indole-3-carboxylic acid
CID 117119563
N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide
CID 58011288
ethane;1-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxylic acid
CID 155739241
1-[2-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 58572634
1-(1-ethyl-3-methylindol-4-yl)propan-2-one
CID 117204377
N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
CID 145106803
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one
CID 58281407
1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
CID 117123029
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone?
The IUPAC name of 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone (CID 117119559) is 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone is CCn1cc(C(C)=O)c2c(C(F)(F)F)cccc21.
What is the InChIKey of 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone?
The InChIKey is FGRNOOAMWUEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-3-17-7-9(8(2)18)12-10(13(14,15)16)5-4-6-11(12)17/h4-7H,3H2,1-2H3.
What are the key properties of 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone?
1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone has a molecular weight of 255.24 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone is sourced from PubChem (CID 117119559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).