7-fluoro-1-(trideuteriomethyl)indole-2,3-dione

C9H6FNO2 — CID 155291932

IUPAC7-fluoro-1-(trideuteriomethyl)indole-2,3-dione
SMILES[2H]C([2H])([2H])N1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C9H6FNO2/c1-11-7-5(8(12)9(11)13)3-2-4-6(7)10/h2-4H,1H3/i1D3
InChIKeyXWTUHLYJQKEZSI-FIBGUPNXSA-N
MW182.17 g/mol
LogP0.98
Rot. Bonds1

About 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione

7-fluoro-1-(trideuteriomethyl)indole-2,3-dione (PubChem CID 155291932) has the molecular formula C9H6FNO2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-1-(trideuteriomethyl)indole-2,3-dione
PubChem CID155291932
Molecular FormulaC9H6FNO2
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name7-fluoro-1-(trideuteriomethyl)indole-2,3-dione
SMILES[2H]C([2H])([2H])N1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C9H6FNO2/c1-11-7-5(8(12)9(11)13)3-2-4-6(7)10/h2-4H,1H3/i1D3
InChIKeyXWTUHLYJQKEZSI-FIBGUPNXSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
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-fluoro-1-(trideuteriomethyl)indole-2,3-dione?
The IUPAC name of 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione (CID 155291932) is 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione.
What is the SMILES notation for 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione?
The canonical SMILES for 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione is [2H]C([2H])([2H])N1C(=O)C(=O)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione?
The InChIKey is XWTUHLYJQKEZSI-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H6FNO2/c1-11-7-5(8(12)9(11)13)3-2-4-6(7)10/h2-4H,1H3/i1D3.
What are the key properties of 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione?
7-fluoro-1-(trideuteriomethyl)indole-2,3-dione has a molecular weight of 182.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(trideuteriomethyl)indole-2,3-dione is sourced from PubChem (CID 155291932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).