4,6,7-trifluoro-1H-indole-2,3-dione

C8H2F3NO2 — CID 62811095

IUPAC4,6,7-trifluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)c(F)cc(F)c2C1=O
InChIInChI=1S/C8H2F3NO2/c9-2-1-3(10)5(11)6-4(2)7(13)8(14)12-6/h1H,(H,12,13,14)
InChIKeyWQLHXKSIQYHIRB-UHFFFAOYSA-N
MW201.10 g/mol
LogP1.24
Rot. Bonds

About 4,6,7-trifluoro-1H-indole-2,3-dione

4,6,7-trifluoro-1H-indole-2,3-dione (PubChem CID 62811095) has the molecular formula C8H2F3NO2 and a molecular weight of 201.10 g/mol. Its IUPAC name is 4,6,7-trifluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name4,6,7-trifluoro-1H-indole-2,3-dione
PubChem CID62811095
Molecular FormulaC8H2F3NO2
Molecular Weight201.10 g/mol
Exact Mass201.00
IUPAC Name4,6,7-trifluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)c(F)cc(F)c2C1=O
InChIInChI=1S/C8H2F3NO2/c9-2-1-3(10)5(11)6-4(2)7(13)8(14)12-6/h1H,(H,12,13,14)
InChIKeyWQLHXKSIQYHIRB-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6,7-difluoro-1H-indole-2,3-dione
CID 164645941
4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione
CID 177167612
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
4-fluoro-5-methyl-1H-indole-2,3-dione
CID 68679007
6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 172554042
6-fluoro-7-methoxy-1H-indole-2,3-dione
CID 22274397
5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 16793230
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione
CID 100960275
CID 121362412
CID 121362412
9-bromo-4,7-difluoro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 68759173
7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
CID 16787437

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trifluoro-1H-indole-2,3-dione?
The IUPAC name of 4,6,7-trifluoro-1H-indole-2,3-dione (CID 62811095) is 4,6,7-trifluoro-1H-indole-2,3-dione.
What is the SMILES notation for 4,6,7-trifluoro-1H-indole-2,3-dione?
The canonical SMILES for 4,6,7-trifluoro-1H-indole-2,3-dione is O=C1Nc2c(F)c(F)cc(F)c2C1=O.
What is the InChIKey of 4,6,7-trifluoro-1H-indole-2,3-dione?
The InChIKey is WQLHXKSIQYHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F3NO2/c9-2-1-3(10)5(11)6-4(2)7(13)8(14)12-6/h1H,(H,12,13,14).
What are the key properties of 4,6,7-trifluoro-1H-indole-2,3-dione?
4,6,7-trifluoro-1H-indole-2,3-dione has a molecular weight of 201.10 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trifluoro-1H-indole-2,3-dione is sourced from PubChem (CID 62811095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).