5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione

C15H18FNO3 — CID 106893795

IUPAC5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione
SMILESCOC(C)(C)CCN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C15H18FNO3/c1-9-7-10(16)8-11-12(9)17(14(19)13(11)18)6-5-15(2,3)20-4/h7-8H,5-6H2,1-4H3
InChIKeyOILXXQJIUVZBIS-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.48
Rot. Bonds4

About 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione

5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione (PubChem CID 106893795) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione
PubChem CID106893795
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione
SMILESCOC(C)(C)CCN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C15H18FNO3/c1-9-7-10(16)8-11-12(9)17(14(19)13(11)18)6-5-15(2,3)20-4/h7-8H,5-6H2,1-4H3
InChIKeyOILXXQJIUVZBIS-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-5-fluoro-1-(3-methoxy-3-methylbutyl)indole-2,3-dione
CID 103034134
1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893506
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
5-fluoro-7-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]indole-2,3-dione
CID 106893794
1-[2-(2-chloroethoxy)ethyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893493
5-fluoro-7-methyl-1-prop-2-ynylindole-2,3-dione
CID 106893797
1-[(E)-but-2-enyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893650
5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione
CID 106893907
N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
CID 106893739
1-(3-bromo-2-methylpropyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893513
5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 106893563
4-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylbutanenitrile
CID 65252928

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione?
The IUPAC name of 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione (CID 106893795) is 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione?
The canonical SMILES for 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione is COC(C)(C)CCN1C(=O)C(=O)c2cc(F)cc(C)c21.
What is the InChIKey of 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione?
The InChIKey is OILXXQJIUVZBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9-7-10(16)8-11-12(9)17(14(19)13(11)18)6-5-15(2,3)20-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione?
5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione has a molecular weight of 279.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione is sourced from PubChem (CID 106893795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).