5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione

C14H15F2NO3 — CID 106453675

IUPAC5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione
SMILESCC(C)COCCN1C(=O)C(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H15F2NO3/c1-8(2)7-20-4-3-17-12-6-11(16)10(15)5-9(12)13(18)14(17)19/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBAYBYAVIMGVQTP-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.17
Rot. Bonds5

About 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione

5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione (PubChem CID 106453675) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione
PubChem CID106453675
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione
SMILESCC(C)COCCN1C(=O)C(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H15F2NO3/c1-8(2)7-20-4-3-17-12-6-11(16)10(15)5-9(12)13(18)14(17)19/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBAYBYAVIMGVQTP-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
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

5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
CID 80758387
5-bromo-6-fluoro-1-(2-propoxyethyl)indole-2,3-dione
CID 106453668
5,6-difluoro-1-[3-(methylamino)propyl]indole-2,3-dione
CID 80759196
1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione
CID 80759179
5-bromo-6-fluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]indole-2,3-dione
CID 61490653
5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
CID 80747330
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
CID 103410239
ethyl 2-(5,6-difluoro-2,3-dioxoindol-1-yl)acetate
CID 80746979
1-[2-(cyclopropylamino)ethyl]-5,6-difluoroindole-2,3-dione
CID 80758317
butyl 2-(5,6-difluoro-2,3-dioxoindol-1-yl)acetate
CID 80727781
6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione
CID 61484634

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione?
The IUPAC name of 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione (CID 106453675) is 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione is CC(C)COCCN1C(=O)C(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione?
The InChIKey is BAYBYAVIMGVQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-8(2)7-20-4-3-17-12-6-11(16)10(15)5-9(12)13(18)14(17)19/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione?
5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione has a molecular weight of 283.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 106453675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).