5-(trifluoromethoxy)-1,3-dihydroindol-2-one

C9H6F3NO2 — CID 25307163

IUPAC5-(trifluoromethoxy)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OC(F)(F)F)ccc2N1
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)
InChIKeyNJZFZLIOCDIELL-UHFFFAOYSA-N
MW217.15 g/mol
LogP2.08
Rot. Bonds1

About 5-(trifluoromethoxy)-1,3-dihydroindol-2-one

5-(trifluoromethoxy)-1,3-dihydroindol-2-one (PubChem CID 25307163) has the molecular formula C9H6F3NO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1,3-dihydroindol-2-one
PubChem CID25307163
Molecular FormulaC9H6F3NO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name5-(trifluoromethoxy)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OC(F)(F)F)ccc2N1
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)
InChIKeyNJZFZLIOCDIELL-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(trifluoromethoxy)-1,3-dihydroindol-2-one (CID 25307163) is 5-(trifluoromethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(trifluoromethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(trifluoromethoxy)-1,3-dihydroindol-2-one is O=C1Cc2cc(OC(F)(F)F)ccc2N1.
What is the InChIKey of 5-(trifluoromethoxy)-1,3-dihydroindol-2-one?
The InChIKey is NJZFZLIOCDIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14).
What are the key properties of 5-(trifluoromethoxy)-1,3-dihydroindol-2-one?
5-(trifluoromethoxy)-1,3-dihydroindol-2-one has a molecular weight of 217.15 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 25307163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).