1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione

C11H7BrFNO2 — CID 60872828

IUPAC1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione
SMILESC=C(Br)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C11H7BrFNO2/c1-6(12)5-14-9-4-7(13)2-3-8(9)10(15)11(14)16/h2-4H,1,5H2
InChIKeyDKMLOLJJMIATMD-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.26
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione

1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione (PubChem CID 60872828) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione
PubChem CID60872828
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione
SMILESC=C(Br)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C11H7BrFNO2/c1-6(12)5-14-9-4-7(13)2-3-8(9)10(15)11(14)16/h2-4H,1,5H2
InChIKeyDKMLOLJJMIATMD-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
CID 104751180
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61485458
6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79361539
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
CID 61489934
1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione
CID 65008566
1-[2-(bromomethyl)-2-ethylbutyl]-6-fluoroindole-2,3-dione
CID 64998346
3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325538
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487935
4-(6-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylbutanenitrile
CID 65253611
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387539

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione?
The IUPAC name of 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione (CID 60872828) is 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione is C=C(Br)CN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione?
The InChIKey is DKMLOLJJMIATMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c1-6(12)5-14-9-4-7(13)2-3-8(9)10(15)11(14)16/h2-4H,1,5H2.
What are the key properties of 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione?
1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione has a molecular weight of 284.08 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione is sourced from PubChem (CID 60872828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).