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

C17H22FNO2 — CID 3089281

IUPAC5-fluoro-2-nonylisoindole-1,3-dione
SMILESCCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C17H22FNO2/c1-2-3-4-5-6-7-8-11-19-16(20)14-10-9-13(18)12-15(14)17(19)21/h9-10,12H,2-8,11H2,1H3
InChIKeyPRZPELWUUYCLPD-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.17
Rot. Bonds8

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

5-fluoro-2-nonylisoindole-1,3-dione (PubChem CID 3089281) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-fluoro-2-nonylisoindole-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-nonylisoindole-1,3-dione
PubChem CID3089281
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name5-fluoro-2-nonylisoindole-1,3-dione
SMILESCCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C17H22FNO2/c1-2-3-4-5-6-7-8-11-19-16(20)14-10-9-13(18)12-15(14)17(19)21/h9-10,12H,2-8,11H2,1H3
InChIKeyPRZPELWUUYCLPD-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
2-(4-bromobutyl)-5-fluoroisoindole-1,3-dione
CID 146674070
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-decylisoindole-1,3-dione
CID 132514130
2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione
CID 167513160
5-fluoro-1-heptylindole-2,3-dione
CID 43129613
2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
CID 25417104
2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59475379
5-nitro-2-nonylisoindole-1,3-dione
CID 3089282
3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoate
CID 3305675
5-[5-[5-(1,3-dioxo-2-pentylisoindol-5-yl)thiophen-2-yl]thiophen-2-yl]-2-pentylisoindole-1,3-dione
CID 132566520

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nonylisoindole-1,3-dione?
The IUPAC name of 5-fluoro-2-nonylisoindole-1,3-dione (CID 3089281) is 5-fluoro-2-nonylisoindole-1,3-dione.
What is the SMILES notation for 5-fluoro-2-nonylisoindole-1,3-dione?
The canonical SMILES for 5-fluoro-2-nonylisoindole-1,3-dione is CCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O.
What is the InChIKey of 5-fluoro-2-nonylisoindole-1,3-dione?
The InChIKey is PRZPELWUUYCLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-2-3-4-5-6-7-8-11-19-16(20)14-10-9-13(18)12-15(14)17(19)21/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 5-fluoro-2-nonylisoindole-1,3-dione?
5-fluoro-2-nonylisoindole-1,3-dione has a molecular weight of 291.37 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nonylisoindole-1,3-dione is sourced from PubChem (CID 3089281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).