2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione

C11H6F3NO2 — CID 59816339

IUPAC2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione
SMILESC=CN1C(=O)c2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H6F3NO2/c1-2-15-9(16)7-4-3-6(11(12,13)14)5-8(7)10(15)17/h2-5H,1H2
InChIKeyHQIQHYOQDNMIQX-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.44
Rot. Bonds1

About 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione

2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione (PubChem CID 59816339) has the molecular formula C11H6F3NO2 and a molecular weight of 241.17 g/mol. Its IUPAC name is 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione
PubChem CID59816339
Molecular FormulaC11H6F3NO2
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione
SMILESC=CN1C(=O)c2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H6F3NO2/c1-2-15-9(16)7-4-3-6(11(12,13)14)5-8(7)10(15)17/h2-5H,1H2
InChIKeyHQIQHYOQDNMIQX-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.44
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 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione?
The IUPAC name of 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione (CID 59816339) is 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione?
The canonical SMILES for 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione is C=CN1C(=O)c2ccc(C(F)(F)F)cc2C1=O.
What is the InChIKey of 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione?
The InChIKey is HQIQHYOQDNMIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2/c1-2-15-9(16)7-4-3-6(11(12,13)14)5-8(7)10(15)17/h2-5H,1H2.
What are the key properties of 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione?
2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione has a molecular weight of 241.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione is sourced from PubChem (CID 59816339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).