5-fluoro-1-heptylindole-2,3-dione

C15H18FNO2 — CID 43129613

IUPAC5-fluoro-1-heptylindole-2,3-dione
SMILESCCCCCCCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C15H18FNO2/c1-2-3-4-5-6-9-17-13-8-7-11(16)10-12(13)14(18)15(17)19/h7-8,10H,2-6,9H2,1H3
InChIKeyHQISXFAXKGPAFZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.33
Rot. Bonds6

About 5-fluoro-1-heptylindole-2,3-dione

5-fluoro-1-heptylindole-2,3-dione (PubChem CID 43129613) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-fluoro-1-heptylindole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-heptylindole-2,3-dione
PubChem CID43129613
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name5-fluoro-1-heptylindole-2,3-dione
SMILESCCCCCCCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C15H18FNO2/c1-2-3-4-5-6-9-17-13-8-7-11(16)10-12(13)14(18)15(17)19/h7-8,10H,2-6,9H2,1H3
InChIKeyHQISXFAXKGPAFZ-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387
5-bromo-6-fluoro-1-hexylindole-2,3-dione
CID 61357354
N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
CID 62325539
5-fluoro-1-[3-(2,2,2-trifluoroethoxy)propyl]indole-2,3-dione
CID 61491397
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705188
5-fluoro-1-(3-methyl-2-oxobutyl)indole-2,3-dione
CID 79395662
potassium trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705187

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-heptylindole-2,3-dione?
The IUPAC name of 5-fluoro-1-heptylindole-2,3-dione (CID 43129613) is 5-fluoro-1-heptylindole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-heptylindole-2,3-dione?
The canonical SMILES for 5-fluoro-1-heptylindole-2,3-dione is CCCCCCCN1C(=O)C(=O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-heptylindole-2,3-dione?
The InChIKey is HQISXFAXKGPAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-3-4-5-6-9-17-13-8-7-11(16)10-12(13)14(18)15(17)19/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 5-fluoro-1-heptylindole-2,3-dione?
5-fluoro-1-heptylindole-2,3-dione has a molecular weight of 263.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-heptylindole-2,3-dione is sourced from PubChem (CID 43129613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).