2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone

C11H8F3NO2 — CID 22497238

IUPAC2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-17-6-2-3-7-8(5-15-9(7)4-6)10(16)11(12,13)14/h2-5,15H,1H3
InChIKeyHXIAOAVTDAAMOH-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.92
Rot. Bonds2

About 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone

2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone (PubChem CID 22497238) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
PubChem CID22497238
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C11H8F3NO2/c1-17-6-2-3-7-8(5-15-9(7)4-6)10(16)11(12,13)14/h2-5,15H,1H3
InChIKeyHXIAOAVTDAAMOH-UHFFFAOYSA-N
XLogP2.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206624
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone (CID 22497238) is 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone is COc1ccc2c(C(=O)C(F)(F)F)c[nH]c2c1.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is HXIAOAVTDAAMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-17-6-2-3-7-8(5-15-9(7)4-6)10(16)11(12,13)14/h2-5,15H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone?
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 243.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 22497238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).