1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C13H12F3NO3 — CID 103206823

IUPAC1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCOc1cccc2[nH]cc(C(=O)COCC(F)(F)F)c12
InChIInChI=1S/C13H12F3NO3/c1-19-11-4-2-3-9-12(11)8(5-17-9)10(18)6-20-7-13(14,15)16/h2-5,17H,6-7H2,1H3
InChIKeyXVEVOXXPVOKMGX-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.94
Rot. Bonds5

About 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206823) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206823
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCOc1cccc2[nH]cc(C(=O)COCC(F)(F)F)c12
InChIInChI=1S/C13H12F3NO3/c1-19-11-4-2-3-9-12(11)8(5-17-9)10(18)6-20-7-13(14,15)16/h2-5,17H,6-7H2,1H3
InChIKeyXVEVOXXPVOKMGX-UHFFFAOYSA-N
XLogP2.94
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 103206613
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206851

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206823) is 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is COc1cccc2[nH]cc(C(=O)COCC(F)(F)F)c12.
What is the InChIKey of 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is XVEVOXXPVOKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-19-11-4-2-3-9-12(11)8(5-17-9)10(18)6-20-7-13(14,15)16/h2-5,17H,6-7H2,1H3.
What are the key properties of 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 287.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).