7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione

C9H3ClF3NO2 — CID 16787437

IUPAC7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(Cl)ccc(C(F)(F)F)c2C1=O
InChIInChI=1S/C9H3ClF3NO2/c10-4-2-1-3(9(11,12)13)5-6(4)14-8(16)7(5)15/h1-2H,(H,14,15,16)
InChIKeyULONHZDBUQGJBT-UHFFFAOYSA-N
MW249.57 g/mol
LogP2.49
Rot. Bonds

About 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione

7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione (PubChem CID 16787437) has the molecular formula C9H3ClF3NO2 and a molecular weight of 249.57 g/mol. Its IUPAC name is 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
PubChem CID16787437
Molecular FormulaC9H3ClF3NO2
Molecular Weight249.57 g/mol
Exact Mass248.98
IUPAC Name7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(Cl)ccc(C(F)(F)F)c2C1=O
InChIInChI=1S/C9H3ClF3NO2/c10-4-2-1-3(9(11,12)13)5-6(4)14-8(16)7(5)15/h1-2H,(H,14,15,16)
InChIKeyULONHZDBUQGJBT-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione?
The IUPAC name of 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione (CID 16787437) is 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione?
The canonical SMILES for 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione is O=C1Nc2c(Cl)ccc(C(F)(F)F)c2C1=O.
What is the InChIKey of 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione?
The InChIKey is ULONHZDBUQGJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF3NO2/c10-4-2-1-3(9(11,12)13)5-6(4)14-8(16)7(5)15/h1-2H,(H,14,15,16).
What are the key properties of 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione?
7-chloro-4-(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 7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 16787437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).