1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone

C11H8F3NO — CID 82391412

IUPAC1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H8F3NO/c1-6(16)8-5-15-10-7(8)3-2-4-9(10)11(12,13)14/h2-5,15H,1H3
InChIKeyLZSVCSNSHOIXGI-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.39
Rot. Bonds1

About 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone

1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone (PubChem CID 82391412) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
PubChem CID82391412
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H8F3NO/c1-6(16)8-5-15-10-7(8)3-2-4-9(10)11(12,13)14/h2-5,15H,1H3
InChIKeyLZSVCSNSHOIXGI-UHFFFAOYSA-N
XLogP3.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
3-acetyl-5-(trifluoromethyl)-1H-quinolin-4-one
CID 58281407
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534
2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073468
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
CID 117123029
5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid
CID 136986130
1-[2-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 58572634
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 53246411
3-(4-phenylpiperazine-1-carbonyl)-8-(trifluoromethyl)-1H-quinolin-4-one
CID 43853764
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755

Frequently Asked Questions

What is the IUPAC name of 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The IUPAC name of 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone (CID 82391412) is 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone is CC(=O)c1c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The InChIKey is LZSVCSNSHOIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6(16)8-5-15-10-7(8)3-2-4-9(10)11(12,13)14/h2-5,15H,1H3.
What are the key properties of 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone?
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone has a molecular weight of 227.19 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 82391412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).