5-fluoro-2-propan-2-ylisoindole-1,3-dione

C11H10FNO2 — CID 5178024

IUPAC5-fluoro-2-propan-2-ylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C11H10FNO2/c1-6(2)13-10(14)8-4-3-7(12)5-9(8)11(13)15/h3-6H,1-2H3
InChIKeyUKEWNTVJZLKXOZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.83
Rot. Bonds1

About 5-fluoro-2-propan-2-ylisoindole-1,3-dione

5-fluoro-2-propan-2-ylisoindole-1,3-dione (PubChem CID 5178024) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-propan-2-ylisoindole-1,3-dione
PubChem CID5178024
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name5-fluoro-2-propan-2-ylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C11H10FNO2/c1-6(2)13-10(14)8-4-3-7(12)5-9(8)11(13)15/h3-6H,1-2H3
InChIKeyUKEWNTVJZLKXOZ-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.83
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 5-fluoro-2-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 5-fluoro-2-propan-2-ylisoindole-1,3-dione (CID 5178024) is 5-fluoro-2-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-fluoro-2-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-fluoro-2-propan-2-ylisoindole-1,3-dione is CC(C)N1C(=O)c2ccc(F)cc2C1=O.
What is the InChIKey of 5-fluoro-2-propan-2-ylisoindole-1,3-dione?
The InChIKey is UKEWNTVJZLKXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-6(2)13-10(14)8-4-3-7(12)5-9(8)11(13)15/h3-6H,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-ylisoindole-1,3-dione?
5-fluoro-2-propan-2-ylisoindole-1,3-dione has a molecular weight of 207.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 5178024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).