2-(2,2-difluorocyclopentyl)isoindole-1,3-dione

C13H11F2NO2 — CID 132839246

IUPAC2-(2,2-difluorocyclopentyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCC1(F)F
InChIInChI=1S/C13H11F2NO2/c14-13(15)7-3-6-10(13)16-11(17)8-4-1-2-5-9(8)12(16)18/h1-2,4-5,10H,3,6-7H2
InChIKeyPXUNSPJHDSGOJJ-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.47
Rot. Bonds1

About 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione

2-(2,2-difluorocyclopentyl)isoindole-1,3-dione (PubChem CID 132839246) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,2-difluorocyclopentyl)isoindole-1,3-dione
PubChem CID132839246
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name2-(2,2-difluorocyclopentyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCC1(F)F
InChIInChI=1S/C13H11F2NO2/c14-13(15)7-3-6-10(13)16-11(17)8-4-1-2-5-9(8)12(16)18/h1-2,4-5,10H,3,6-7H2
InChIKeyPXUNSPJHDSGOJJ-UHFFFAOYSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione (CID 132839246) is 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCCC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione?
The InChIKey is PXUNSPJHDSGOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-13(15)7-3-6-10(13)16-11(17)8-4-1-2-5-9(8)12(16)18/h1-2,4-5,10H,3,6-7H2.
What are the key properties of 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione?
2-(2,2-difluorocyclopentyl)isoindole-1,3-dione has a molecular weight of 251.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopentyl)isoindole-1,3-dione is sourced from PubChem (CID 132839246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).