6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione

C14H12FN3O4 — CID 168871932

IUPAC6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
SMILESNCc1cc(F)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12FN3O4/c15-8-4-6(5-16)3-7-11(8)14(22)18(13(7)21)9-1-2-10(19)17-12(9)20/h3-4,9H,1-2,5,16H2,(H,17,19,20)
InChIKeyNUYMIOOWYAZUFZ-UHFFFAOYSA-N
MW305.27 g/mol
LogP-0.31
Rot. Bonds2

About 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione

6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione (PubChem CID 168871932) has the molecular formula C14H12FN3O4 and a molecular weight of 305.27 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
PubChem CID168871932
Molecular FormulaC14H12FN3O4
Molecular Weight305.27 g/mol
Exact Mass305.08
IUPAC Name6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
SMILESNCc1cc(F)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12FN3O4/c15-8-4-6(5-16)3-7-11(8)14(22)18(13(7)21)9-1-2-10(19)17-12(9)20/h3-4,9H,1-2,5,16H2,(H,17,19,20)
InChIKeyNUYMIOOWYAZUFZ-UHFFFAOYSA-N
XLogP-0.31
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione with MolForge

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Related Compounds

4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
CID 168872411
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
CID 166155279
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
5-(bromomethyl)-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 168871458
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(1-iodoethyl)isoindole-1,3-dione
CID 174269765
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
6-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)-4-methylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138046345
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione?
The IUPAC name of 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione (CID 168871932) is 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione.
What is the SMILES notation for 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione?
The canonical SMILES for 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione is NCc1cc(F)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione?
The InChIKey is NUYMIOOWYAZUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4/c15-8-4-6(5-16)3-7-11(8)14(22)18(13(7)21)9-1-2-10(19)17-12(9)20/h3-4,9H,1-2,5,16H2,(H,17,19,20).
What are the key properties of 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione?
6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione has a molecular weight of 305.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione is sourced from PubChem (CID 168871932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).