2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione

C17H19FN2O4 — CID 167513160

IUPAC2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione
SMILESCCCCN1C(=O)c2ccc(F)cc2C1=O.O=C1CCCC(=O)N1
InChIInChI=1S/C12H12FNO2.C5H7NO2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16;7-4-2-1-3-5(8)6-4/h4-5,7H,2-3,6H2,1H3;1-3H2,(H,6,7,8)
InChIKeyGJTWBDDVCPRCCP-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.03
Rot. Bonds3

About 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione

2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione (PubChem CID 167513160) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione.

Molecular Properties

Compound Name2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione
PubChem CID167513160
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione
SMILESCCCCN1C(=O)c2ccc(F)cc2C1=O.O=C1CCCC(=O)N1
InChIInChI=1S/C12H12FNO2.C5H7NO2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16;7-4-2-1-3-5(8)6-4/h4-5,7H,2-3,6H2,1H3;1-3H2,(H,6,7,8)
InChIKeyGJTWBDDVCPRCCP-UHFFFAOYSA-N
XLogP2.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', '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
2-(4-bromobutyl)-5-fluoroisoindole-1,3-dione
CID 146674070
2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
CID 25417104
2-butyl-5-(methylamino)isoindole-1,3-dione
CID 117006264
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
2-but-3-enyl-5-fluoroisoindole-1,3-dione
CID 71862882
5,6-dibromo-2-butylisoindole-1,3-dione
CID 167440985
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-decylisoindole-1,3-dione
CID 132514130
3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoate
CID 3305675
5-fluoro-1-heptylindole-2,3-dione
CID 43129613

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione?
The IUPAC name of 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione (CID 167513160) is 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione.
What is the SMILES notation for 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione?
The canonical SMILES for 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione is CCCCN1C(=O)c2ccc(F)cc2C1=O.O=C1CCCC(=O)N1.
What is the InChIKey of 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione?
The InChIKey is GJTWBDDVCPRCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2.C5H7NO2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16;7-4-2-1-3-5(8)6-4/h4-5,7H,2-3,6H2,1H3;1-3H2,(H,6,7,8).
What are the key properties of 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione?
2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione has a molecular weight of 334.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-fluoroisoindole-1,3-dione;piperidine-2,6-dione is sourced from PubChem (CID 167513160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).