7-(trifluoromethoxy)indol-2-one

C9H4F3NO2 — CID 172702956

IUPAC7-(trifluoromethoxy)indol-2-one
SMILESO=C1C=c2cccc(OC(F)(F)F)c2=N1
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)15-6-3-1-2-5-4-7(14)13-8(5)6/h1-4H
InChIKeyDFAUQUOUNKRLCH-UHFFFAOYSA-N
MW215.13 g/mol
LogP0.53
Rot. Bonds1

About 7-(trifluoromethoxy)indol-2-one

7-(trifluoromethoxy)indol-2-one (PubChem CID 172702956) has the molecular formula C9H4F3NO2 and a molecular weight of 215.13 g/mol. Its IUPAC name is 7-(trifluoromethoxy)indol-2-one.

Molecular Properties

Compound Name7-(trifluoromethoxy)indol-2-one
PubChem CID172702956
Molecular FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
Exact Mass215.02
IUPAC Name7-(trifluoromethoxy)indol-2-one
SMILESO=C1C=c2cccc(OC(F)(F)F)c2=N1
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)15-6-3-1-2-5-4-7(14)13-8(5)6/h1-4H
InChIKeyDFAUQUOUNKRLCH-UHFFFAOYSA-N
XLogP0.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethoxy)indol-2-one?
The IUPAC name of 7-(trifluoromethoxy)indol-2-one (CID 172702956) is 7-(trifluoromethoxy)indol-2-one.
What is the SMILES notation for 7-(trifluoromethoxy)indol-2-one?
The canonical SMILES for 7-(trifluoromethoxy)indol-2-one is O=C1C=c2cccc(OC(F)(F)F)c2=N1.
What is the InChIKey of 7-(trifluoromethoxy)indol-2-one?
The InChIKey is DFAUQUOUNKRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2/c10-9(11,12)15-6-3-1-2-5-4-7(14)13-8(5)6/h1-4H.
What are the key properties of 7-(trifluoromethoxy)indol-2-one?
7-(trifluoromethoxy)indol-2-one has a molecular weight of 215.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethoxy)indol-2-one is sourced from PubChem (CID 172702956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).