1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone

C11H8F3NO2 — CID 142969418

IUPAC1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
SMILESCC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H8F3NO2/c1-6(16)10-5-7-4-8(17-11(12,13)14)2-3-9(7)15-10/h2-5,15H,1H3
InChIKeyIWUXBQULKLHUHQ-UHFFFAOYSA-N
MW243.18 g/mol
LogP3.27
Rot. Bonds2

About 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone

1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone (PubChem CID 142969418) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
PubChem CID142969418
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
SMILESCC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H8F3NO2/c1-6(16)10-5-7-4-8(17-11(12,13)14)2-3-9(7)15-10/h2-5,15H,1H3
InChIKeyIWUXBQULKLHUHQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone?
The IUPAC name of 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone (CID 142969418) is 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone?
The canonical SMILES for 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone is CC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone?
The InChIKey is IWUXBQULKLHUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-6(16)10-5-7-4-8(17-11(12,13)14)2-3-9(7)15-10/h2-5,15H,1H3.
What are the key properties of 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone?
1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone has a molecular weight of 243.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone is sourced from PubChem (CID 142969418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).