5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione

C11H8F3NO2 — CID 142829685

IUPAC5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(F)(F)F)C2=O
InChIInChI=1S/C11H8F3NO2/c1-6-2-3-7-8(4-6)10(17)15(9(7)16)5-11(12,13)14/h2-4H,5H2,1H3
InChIKeyAZGSCMZIKSMGEP-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.15
Rot. Bonds1

About 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione

5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione (PubChem CID 142829685) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
PubChem CID142829685
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(F)(F)F)C2=O
InChIInChI=1S/C11H8F3NO2/c1-6-2-3-7-8(4-6)10(17)15(9(7)16)5-11(12,13)14/h2-4H,5H2,1H3
InChIKeyAZGSCMZIKSMGEP-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 79785414
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione
CID 106146406
ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 164901575
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
[2,2-dimethyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]-[4-[[2,2-dimethyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]-dimethylazaniumyl]cyclohexyl]-dimethylazanium
CID 10349072
CID 144533118
CID 144533118
2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
CID 61263948
5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 23733624
[2,2-dimethyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]-[6-[[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
CID 11828808
5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
CID 62664853
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione (CID 142829685) is 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CC(F)(F)F)C2=O.
What is the InChIKey of 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The InChIKey is AZGSCMZIKSMGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-6-2-3-7-8(4-6)10(17)15(9(7)16)5-11(12,13)14/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione has a molecular weight of 243.18 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione is sourced from PubChem (CID 142829685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).