7-(trifluoromethyl)-1H-indole-2,3-dione

C9H4F3NO2 — CID 604575

IUPAC7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cccc2C(F)(F)F)C1=O
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
InChIKeyMXLDJTXXAYVWDF-UHFFFAOYSA-N
MW215.13 g/mol
LogP1.84
Rot. Bonds

About 7-(trifluoromethyl)-1H-indole-2,3-dione

7-(trifluoromethyl)-1H-indole-2,3-dione (PubChem CID 604575) has the molecular formula C9H4F3NO2 and a molecular weight of 215.13 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-(trifluoromethyl)-1H-indole-2,3-dione
PubChem CID604575
Molecular FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
Exact Mass215.02
IUPAC Name7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cccc2C(F)(F)F)C1=O
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
InChIKeyMXLDJTXXAYVWDF-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1H-indole-2,3-dione?
The IUPAC name of 7-(trifluoromethyl)-1H-indole-2,3-dione (CID 604575) is 7-(trifluoromethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 7-(trifluoromethyl)-1H-indole-2,3-dione?
The canonical SMILES for 7-(trifluoromethyl)-1H-indole-2,3-dione is O=C1Nc2c(cccc2C(F)(F)F)C1=O.
What is the InChIKey of 7-(trifluoromethyl)-1H-indole-2,3-dione?
The InChIKey is MXLDJTXXAYVWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15).
What are the key properties of 7-(trifluoromethyl)-1H-indole-2,3-dione?
7-(trifluoromethyl)-1H-indole-2,3-dione has a molecular weight of 215.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 604575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).