ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione

C16H26FNO2 — CID 169161651

IUPACethane;5-fluoro-2,6-dimethylisoindole-1,3-dione
SMILESCC.CC.CC.Cc1cc2c(cc1F)C(=O)N(C)C2=O
InChIInChI=1S/C10H8FNO2.3C2H6/c1-5-3-6-7(4-8(5)11)10(14)12(2)9(6)13;3*1-2/h3-4H,1-2H3;3*1-2H3
InChIKeyXYTLUXCXOPAWKG-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.44
Rot. Bonds

About ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione

ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione (PubChem CID 169161651) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Nameethane;5-fluoro-2,6-dimethylisoindole-1,3-dione
PubChem CID169161651
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Nameethane;5-fluoro-2,6-dimethylisoindole-1,3-dione
SMILESCC.CC.CC.Cc1cc2c(cc1F)C(=O)N(C)C2=O
InChIInChI=1S/C10H8FNO2.3C2H6/c1-5-3-6-7(4-8(5)11)10(14)12(2)9(6)13;3*1-2/h3-4H,1-2H3;3*1-2H3
InChIKeyXYTLUXCXOPAWKG-UHFFFAOYSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.44
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 ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione?
The IUPAC name of ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione (CID 169161651) is ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione.
What is the SMILES notation for ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione?
The canonical SMILES for ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione is CC.CC.CC.Cc1cc2c(cc1F)C(=O)N(C)C2=O.
What is the InChIKey of ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione?
The InChIKey is XYTLUXCXOPAWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2.3C2H6/c1-5-3-6-7(4-8(5)11)10(14)12(2)9(6)13;3*1-2/h3-4H,1-2H3;3*1-2H3.
What are the key properties of ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione?
ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione has a molecular weight of 283.39 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione is sourced from PubChem (CID 169161651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).