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

C9H3ClF3NO2 — CID 16793230

IUPAC5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cc(Cl)cc2C(F)(F)F)C1=O
InChIInChI=1S/C9H3ClF3NO2/c10-3-1-4-6(14-8(16)7(4)15)5(2-3)9(11,12)13/h1-2H,(H,14,15,16)
InChIKeyWBEGSXWHZFUWGE-UHFFFAOYSA-N
MW249.57 g/mol
LogP2.49
Rot. Bonds

About 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione

5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione (PubChem CID 16793230) has the molecular formula C9H3ClF3NO2 and a molecular weight of 249.57 g/mol. Its IUPAC name is 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
PubChem CID16793230
Molecular FormulaC9H3ClF3NO2
Molecular Weight249.57 g/mol
Exact Mass248.98
IUPAC Name5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cc(Cl)cc2C(F)(F)F)C1=O
InChIInChI=1S/C9H3ClF3NO2/c10-3-1-4-6(14-8(16)7(4)15)5(2-3)9(11,12)13/h1-2H,(H,14,15,16)
InChIKeyWBEGSXWHZFUWGE-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 154705267
7-(trifluoromethyl)-1H-indole-2,3-dione
CID 604575
4,5-dideuterio-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 169447382
7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
CID 16787437
3-acetyl-6-chloro-2-propan-2-ylimino-8-(trifluoromethyl)-1H-quinolin-4-one
CID 142678706
5-bromo-7-chloro-1H-indole-2,3-dione
CID 4659218
6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 172554042
4,7-bis(trifluoromethyl)isoindole-1,3-dione
CID 2317893
7-chloro-1H-indole-2,3-dione
CID 139078100
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875
(3E)-5,7-dichloro-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)imino-1H-indol-2-one
CID 135592277
4,6,7-trifluoro-1H-indole-2,3-dione
CID 62811095

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione (CID 16793230) is 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione is O=C1Nc2c(cc(Cl)cc2C(F)(F)F)C1=O.
What is the InChIKey of 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione?
The InChIKey is WBEGSXWHZFUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF3NO2/c10-3-1-4-6(14-8(16)7(4)15)5(2-3)9(11,12)13/h1-2H,(H,14,15,16).
What are the key properties of 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione?
5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione has a molecular weight of 249.57 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 16793230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).