5-(trifluoromethoxy)-1H-indole-2,3-dione

C9H4F3NO3 — CID 2732752

IUPAC5-(trifluoromethoxy)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OC(F)(F)F)cc2C1=O
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
InChIKeyXHAJMVPMNOBILF-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.72
Rot. Bonds1

About 5-(trifluoromethoxy)-1H-indole-2,3-dione

5-(trifluoromethoxy)-1H-indole-2,3-dione (PubChem CID 2732752) has the molecular formula C9H4F3NO3 and a molecular weight of 231.13 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1H-indole-2,3-dione
PubChem CID2732752
Molecular FormulaC9H4F3NO3
Molecular Weight231.13 g/mol
Exact Mass231.01
IUPAC Name5-(trifluoromethoxy)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OC(F)(F)F)cc2C1=O
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
InChIKeyXHAJMVPMNOBILF-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxyisatin
CID 38333
1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione
CID 42633508
1-(2-Phenoxyethyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 57525860
6-(Trifluoromethoxy)-4-quinolinol
CID 2775104
6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one
CID 2775106
5-Benzyloxyisatin
CID 16792980
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 45281794
7-methoxy-2,3-dihydro-1H-indole-2,3-dione
CID 4088910
6-Methoxyisatin
CID 10374972
1-(4-Phenoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 44602489
8-Methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 1603092
8-(Trifluoromethoxy)indolo[2,1-b]quinazoline-6,12-dione
CID 479332

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-1H-indole-2,3-dione?
The IUPAC name of 5-(trifluoromethoxy)-1H-indole-2,3-dione (CID 2732752) is 5-(trifluoromethoxy)-1H-indole-2,3-dione.
What is the SMILES notation for 5-(trifluoromethoxy)-1H-indole-2,3-dione?
The canonical SMILES for 5-(trifluoromethoxy)-1H-indole-2,3-dione is O=C1Nc2ccc(OC(F)(F)F)cc2C1=O.
What is the InChIKey of 5-(trifluoromethoxy)-1H-indole-2,3-dione?
The InChIKey is XHAJMVPMNOBILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15).
What are the key properties of 5-(trifluoromethoxy)-1H-indole-2,3-dione?
5-(trifluoromethoxy)-1H-indole-2,3-dione has a molecular weight of 231.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-1H-indole-2,3-dione is sourced from PubChem (CID 2732752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).