1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone

C12H10F3NO — CID 72547489

IUPAC1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
SMILESCC(=O)n1c(C)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H10F3NO/c1-7-5-9-6-10(12(13,14)15)3-4-11(9)16(7)8(2)17/h3-6H,1-2H3
InChIKeyGEGXUYLLKUXTHY-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.63
Rot. Bonds

About 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone

1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone (PubChem CID 72547489) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
PubChem CID72547489
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
SMILESCC(=O)n1c(C)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H10F3NO/c1-7-5-9-6-10(12(13,14)15)3-4-11(9)16(7)8(2)17/h3-6H,1-2H3
InChIKeyGEGXUYLLKUXTHY-UHFFFAOYSA-N
XLogP3.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 11161872
1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
CID 117121465
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468
1-[3-methyl-5-[2-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylic acid
CID 126644743
N,2-diphenyl-5-(trifluoromethyl)indole-1-carboxamide
CID 25170544
2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
CID 115072108
1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone
CID 2748906
3-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]butanoic acid
CID 117121481
1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
CID 170088316
1-methyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 167762153
acetic acid;tert-butyl 5-hydroxy-2-methylindole-1-carboxylate
CID 18914660
3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid
CID 21409193

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone (CID 72547489) is 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone is CC(=O)n1c(C)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone?
The InChIKey is GEGXUYLLKUXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-7-5-9-6-10(12(13,14)15)3-4-11(9)16(7)8(2)17/h3-6H,1-2H3.
What are the key properties of 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone?
1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone has a molecular weight of 241.21 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone is sourced from PubChem (CID 72547489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).