1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione

C16H16FNO3 — CID 104751180

IUPAC1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)C2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C16H16FNO3/c17-11-6-7-12-13(8-11)18(16(21)15(12)20)9-14(19)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyCRKARSWBJZLRTJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.50
Rot. Bonds3

About 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione

1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione (PubChem CID 104751180) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
PubChem CID104751180
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)C2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C16H16FNO3/c17-11-6-7-12-13(8-11)18(16(21)15(12)20)9-14(19)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyCRKARSWBJZLRTJ-UHFFFAOYSA-N
XLogP2.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
1-(2-cyclopropyl-2-oxoethyl)-4,6-difluoroindole-2,3-dione
CID 63915273
1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione
CID 60872828
1-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-6-fluoroindole-2,3-dione
CID 9360915
1-(2-cyclopentyl-2-oxoethyl)-6-fluoro-3,4-dihydroquinolin-2-one
CID 104751280
1-(2-cyclopropyl-2-oxoethyl)-5-methylindole-2,3-dione
CID 63914584
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
CID 61489934
6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione
CID 84638791
ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
CID 9281963
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487935
3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325538
6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79361539

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione?
The IUPAC name of 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione (CID 104751180) is 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione?
The canonical SMILES for 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione is O=C1C(=O)N(CC(=O)C2CCCCC2)c2cc(F)ccc21.
What is the InChIKey of 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione?
The InChIKey is CRKARSWBJZLRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-11-6-7-12-13(8-11)18(16(21)15(12)20)9-14(19)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione?
1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione has a molecular weight of 289.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione is sourced from PubChem (CID 104751180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).