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

C9H3F4NO2 — CID 172554042

IUPAC6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(ccc(F)c2C(F)(F)F)C1=O
InChIInChI=1S/C9H3F4NO2/c10-4-2-1-3-6(5(4)9(11,12)13)14-8(16)7(3)15/h1-2H,(H,14,15,16)
InChIKeyGMEUYPRBEZTUKX-UHFFFAOYSA-N
MW233.12 g/mol
LogP1.98
Rot. Bonds

About 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione

6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione (PubChem CID 172554042) has the molecular formula C9H3F4NO2 and a molecular weight of 233.12 g/mol. Its IUPAC name is 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
PubChem CID172554042
Molecular FormulaC9H3F4NO2
Molecular Weight233.12 g/mol
Exact Mass233.01
IUPAC Name6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(ccc(F)c2C(F)(F)F)C1=O
InChIInChI=1S/C9H3F4NO2/c10-4-2-1-3-6(5(4)9(11,12)13)14-8(16)7(3)15/h1-2H,(H,14,15,16)
InChIKeyGMEUYPRBEZTUKX-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 51.98
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

6-fluoro-7-methoxy-1H-indole-2,3-dione
CID 22274397
7-(trifluoromethyl)-1H-indole-2,3-dione
CID 604575
4,5-dideuterio-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 169447382
5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 16793230
7-chloro-1H-indole-2,3-dione
CID 139078100
6,7-dichloro-1H-indole-2,3-dione
CID 16786802
5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 154705267
3,8-dihydro-2H-furo[3,2-g]indole-6,7-dione
CID 170552190
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
4,6,7-trifluoro-1H-indole-2,3-dione
CID 62811095
7-bromo-6-fluoro-2-methylidene-1H-indol-3-one
CID 145403578
7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
CID 16787437

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione?
The IUPAC name of 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione (CID 172554042) is 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione?
The canonical SMILES for 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione is O=C1Nc2c(ccc(F)c2C(F)(F)F)C1=O.
What is the InChIKey of 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione?
The InChIKey is GMEUYPRBEZTUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F4NO2/c10-4-2-1-3-6(5(4)9(11,12)13)14-8(16)7(3)15/h1-2H,(H,14,15,16).
What are the key properties of 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione?
6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione has a molecular weight of 233.12 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 172554042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).