1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione

C12H12F2N2O2 — CID 61388200

IUPAC1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione
SMILESCCNCCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C12H12F2N2O2/c1-2-15-3-4-16-9-6-7(13)5-8(14)10(9)11(17)12(16)18/h5-6,15H,2-4H2,1H3
InChIKeyUKXZNUUPGJKSOJ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.10
Rot. Bonds4

About 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione

1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione (PubChem CID 61388200) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione
PubChem CID61388200
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione
SMILESCCNCCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C12H12F2N2O2/c1-2-15-3-4-16-9-6-7(13)5-8(14)10(9)11(17)12(16)18/h5-6,15H,2-4H2,1H3
InChIKeyUKXZNUUPGJKSOJ-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61388334
1-butyl-4,6-difluoroindole-2,3-dione
CID 61357345
4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione
CID 62023301
1-[3-(ethylamino)propyl]-6-fluoroindole-2,3-dione
CID 61387569
6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387539
4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
CID 62070844
1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione
CID 61359484
4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63775885
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
CID 61388464
4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61359679
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4,6-difluoroindole-2,3-dione
CID 65014649
1-[(1-ethylpyrazol-4-yl)methyl]-4,6-difluoroindole-2,3-dione
CID 62126742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione?
The IUPAC name of 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione (CID 61388200) is 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione is CCNCCN1C(=O)C(=O)c2c(F)cc(F)cc21.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione?
The InChIKey is UKXZNUUPGJKSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-2-15-3-4-16-9-6-7(13)5-8(14)10(9)11(17)12(16)18/h5-6,15H,2-4H2,1H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione?
1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione has a molecular weight of 254.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione is sourced from PubChem (CID 61388200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).