5-(2,2,2-trifluoroethoxy)indol-2-one

C10H6F3NO2 — CID 23212390

IUPAC5-(2,2,2-trifluoroethoxy)indol-2-one
SMILESO=C1C=c2cc(OCC(F)(F)F)ccc2=N1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)5-16-7-1-2-8-6(3-7)4-9(15)14-8/h1-4H,5H2
InChIKeyOWCWBKBRNZXASM-UHFFFAOYSA-N
MW229.16 g/mol
LogP0.57
Rot. Bonds2

About 5-(2,2,2-trifluoroethoxy)indol-2-one

5-(2,2,2-trifluoroethoxy)indol-2-one (PubChem CID 23212390) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)indol-2-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)indol-2-one
PubChem CID23212390
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name5-(2,2,2-trifluoroethoxy)indol-2-one
SMILESO=C1C=c2cc(OCC(F)(F)F)ccc2=N1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)5-16-7-1-2-8-6(3-7)4-9(15)14-8/h1-4H,5H2
InChIKeyOWCWBKBRNZXASM-UHFFFAOYSA-N
XLogP0.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)indol-2-one?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)indol-2-one (CID 23212390) is 5-(2,2,2-trifluoroethoxy)indol-2-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)indol-2-one?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)indol-2-one is O=C1C=c2cc(OCC(F)(F)F)ccc2=N1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)indol-2-one?
The InChIKey is OWCWBKBRNZXASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)5-16-7-1-2-8-6(3-7)4-9(15)14-8/h1-4H,5H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)indol-2-one?
5-(2,2,2-trifluoroethoxy)indol-2-one has a molecular weight of 229.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)indol-2-one is sourced from PubChem (CID 23212390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).