4-chloro-6,7-difluoro-1H-indole-2,3-dione

C8H2ClF2NO2 — CID 164645941

IUPAC4-chloro-6,7-difluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)c(F)cc(Cl)c2C1=O
InChIInChI=1S/C8H2ClF2NO2/c9-2-1-3(10)5(11)6-4(2)7(13)8(14)12-6/h1H,(H,12,13,14)
InChIKeySLYQYKWBTJUDQP-UHFFFAOYSA-N
MW217.56 g/mol
LogP1.75
Rot. Bonds

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

4-chloro-6,7-difluoro-1H-indole-2,3-dione (PubChem CID 164645941) has the molecular formula C8H2ClF2NO2 and a molecular weight of 217.56 g/mol. Its IUPAC name is 4-chloro-6,7-difluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-6,7-difluoro-1H-indole-2,3-dione
PubChem CID164645941
Molecular FormulaC8H2ClF2NO2
Molecular Weight217.56 g/mol
Exact Mass216.97
IUPAC Name4-chloro-6,7-difluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)c(F)cc(Cl)c2C1=O
InChIInChI=1S/C8H2ClF2NO2/c9-2-1-3(10)5(11)6-4(2)7(13)8(14)12-6/h1H,(H,12,13,14)
InChIKeySLYQYKWBTJUDQP-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.56
LogP ≤ 51.75
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

4,6,7-trifluoro-1H-indole-2,3-dione
CID 62811095
4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione
CID 177167612
4-chloro-7-hydroxy-1H-indole-2,3-dione
CID 118636391
4-chloro-7-methoxy-1H-indole-2,3-dione
CID 12511940
7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
CID 16787437
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
4-chloro-7-nitro-1H-indole-2,3-dione
CID 18070554
5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 16793230
5-bromo-7-chloro-1H-indole-2,3-dione
CID 4659218
4-amino-5-(3-chloro-4,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328079
7-chloro-1H-indole-2,3-dione
CID 139078100
6,7-dichloro-1H-indole-2,3-dione
CID 16786802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-difluoro-1H-indole-2,3-dione?
The IUPAC name of 4-chloro-6,7-difluoro-1H-indole-2,3-dione (CID 164645941) is 4-chloro-6,7-difluoro-1H-indole-2,3-dione.
What is the SMILES notation for 4-chloro-6,7-difluoro-1H-indole-2,3-dione?
The canonical SMILES for 4-chloro-6,7-difluoro-1H-indole-2,3-dione is O=C1Nc2c(F)c(F)cc(Cl)c2C1=O.
What is the InChIKey of 4-chloro-6,7-difluoro-1H-indole-2,3-dione?
The InChIKey is SLYQYKWBTJUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF2NO2/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-chloro-6,7-difluoro-1H-indole-2,3-dione?
4-chloro-6,7-difluoro-1H-indole-2,3-dione has a molecular weight of 217.56 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-difluoro-1H-indole-2,3-dione is sourced from PubChem (CID 164645941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).