2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone

C14H11F6NO3 — CID 86671580

IUPAC2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone
SMILESCOCCn1cc(C(=O)C(F)(F)F)c2cccc(OC(F)(F)F)c21
InChIInChI=1S/C14H11F6NO3/c1-23-6-5-21-7-9(12(22)13(15,16)17)8-3-2-4-10(11(8)21)24-14(18,19)20/h2-4,7H,5-6H2,1H3
InChIKeyUZOCEVORPYKMRG-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.93
Rot. Bonds5

About 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone

2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone (PubChem CID 86671580) has the molecular formula C14H11F6NO3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone
PubChem CID86671580
Molecular FormulaC14H11F6NO3
Molecular Weight355.23 g/mol
Exact Mass355.06
IUPAC Name2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone
SMILESCOCCn1cc(C(=O)C(F)(F)F)c2cccc(OC(F)(F)F)c21
InChIInChI=1S/C14H11F6NO3/c1-23-6-5-21-7-9(12(22)13(15,16)17)8-3-2-4-10(11(8)21)24-14(18,19)20/h2-4,7H,5-6H2,1H3
InChIKeyUZOCEVORPYKMRG-UHFFFAOYSA-N
XLogP3.93
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)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-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone (CID 86671580) is 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone is COCCn1cc(C(=O)C(F)(F)F)c2cccc(OC(F)(F)F)c21.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone?
The InChIKey is UZOCEVORPYKMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO3/c1-23-6-5-21-7-9(12(22)13(15,16)17)8-3-2-4-10(11(8)21)24-14(18,19)20/h2-4,7H,5-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone has a molecular weight of 355.23 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone is sourced from PubChem (CID 86671580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).