2-ethyl-5,6-difluoroisoindole-1,3-dione

C10H7F2NO2 — CID 58482849

IUPAC2-ethyl-5,6-difluoroisoindole-1,3-dione
SMILESCCN1C(=O)c2cc(F)c(F)cc2C1=O
InChIInChI=1S/C10H7F2NO2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2H2,1H3
InChIKeyQTSMESDLQXCOMS-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.58
Rot. Bonds1

About 2-ethyl-5,6-difluoroisoindole-1,3-dione

2-ethyl-5,6-difluoroisoindole-1,3-dione (PubChem CID 58482849) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-ethyl-5,6-difluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-ethyl-5,6-difluoroisoindole-1,3-dione
PubChem CID58482849
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name2-ethyl-5,6-difluoroisoindole-1,3-dione
SMILESCCN1C(=O)c2cc(F)c(F)cc2C1=O
InChIInChI=1S/C10H7F2NO2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2H2,1H3
InChIKeyQTSMESDLQXCOMS-UHFFFAOYSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.58
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-ethyl-5,6-difluoroisoindole-1,3-dione?
The IUPAC name of 2-ethyl-5,6-difluoroisoindole-1,3-dione (CID 58482849) is 2-ethyl-5,6-difluoroisoindole-1,3-dione.
What is the SMILES notation for 2-ethyl-5,6-difluoroisoindole-1,3-dione?
The canonical SMILES for 2-ethyl-5,6-difluoroisoindole-1,3-dione is CCN1C(=O)c2cc(F)c(F)cc2C1=O.
What is the InChIKey of 2-ethyl-5,6-difluoroisoindole-1,3-dione?
The InChIKey is QTSMESDLQXCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-5,6-difluoroisoindole-1,3-dione?
2-ethyl-5,6-difluoroisoindole-1,3-dione has a molecular weight of 211.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-difluoroisoindole-1,3-dione is sourced from PubChem (CID 58482849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).