2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone

C18H11F6NO2 — CID 130400078

IUPAC2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESCOc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c2cc1-c1ccccc1
InChIInChI=1S/C18H11F6NO2/c1-27-13-8-11-12(7-10(13)9-5-3-2-4-6-9)25-15(17(19,20)21)14(11)16(26)18(22,23)24/h2-8,25H,1H3
InChIKeyRWGYJAYULZPMBH-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.61
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone

2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone (PubChem CID 130400078) has the molecular formula C18H11F6NO2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone
PubChem CID130400078
Molecular FormulaC18H11F6NO2
Molecular Weight387.28 g/mol
Exact Mass387.07
IUPAC Name2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESCOc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c2cc1-c1ccccc1
InChIInChI=1S/C18H11F6NO2/c1-27-13-8-11-12(7-10(13)9-5-3-2-4-6-9)25-15(17(19,20)21)14(11)16(26)18(22,23)24/h2-8,25H,1H3
InChIKeyRWGYJAYULZPMBH-UHFFFAOYSA-N
XLogP5.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone (CID 130400078) is 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone is COc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c2cc1-c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The InChIKey is RWGYJAYULZPMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NO2/c1-27-13-8-11-12(7-10(13)9-5-3-2-4-6-9)25-15(17(19,20)21)14(11)16(26)18(22,23)24/h2-8,25H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
2,2,2-trifluoro-1-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone has a molecular weight of 387.28 g/mol, XLogP of 5.61, 3 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-[5-methoxy-6-phenyl-2-(trifluoromethyl)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 130400078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).