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

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Related Compounds

2-[2-[3-(2,2,2-trifluoroacetyl)-7-(trifluoromethoxy)indol-1-yl]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 86671600
1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid
CID 67257961
1-(2-methoxyethyl)-7-(trifluoromethyl)indole-3-carboxylic acid
CID 67256244
[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride
CID 162316904
2,2,2-trifluoro-N-[[4-fluoro-3-[8-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indole-3-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]phenyl]methyl]acetamide
CID 86671088
2,2,2-trifluoro-1-[4-fluoro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 66973635
2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 3155645
2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 67257110
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone
CID 141303525
7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid
CID 67255798
2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone
CID 67255523

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).