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

C10H5F3INO2 — CID 79785414

IUPAC5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(I)cc2C(=O)N1CC(F)(F)F
InChIInChI=1S/C10H5F3INO2/c11-10(12,13)4-15-8(16)6-2-1-5(14)3-7(6)9(15)17/h1-3H,4H2
InChIKeyIZKMEDHIUQWTDX-UHFFFAOYSA-N
MW355.05 g/mol
LogP2.45
Rot. Bonds1

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

5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione (PubChem CID 79785414) has the molecular formula C10H5F3INO2 and a molecular weight of 355.05 g/mol. Its IUPAC name is 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
PubChem CID79785414
Molecular FormulaC10H5F3INO2
Molecular Weight355.05 g/mol
Exact Mass354.93
IUPAC Name5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(I)cc2C(=O)N1CC(F)(F)F
InChIInChI=1S/C10H5F3INO2/c11-10(12,13)4-15-8(16)6-2-1-5(14)3-7(6)9(15)17/h1-3H,4H2
InChIKeyIZKMEDHIUQWTDX-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.05
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 164901575
2-(cyclobutylmethyl)-5-iodoisoindole-1,3-dione
CID 79784754
2-[(3-bromo-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 79782001
2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 102621745
2-[(3-chloro-4-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 103042234
5-iodo-2-(3-methylsulfonylpropyl)isoindole-1,3-dione
CID 79784278
5-iodo-2-(4-iodophenyl)isoindole-1,3-dione
CID 19737610
5-iodo-2-(oxan-4-ylmethyl)isoindole-1,3-dione
CID 79785699
5-iodo-2-[(1-methylpyrazol-3-yl)methyl]isoindole-1,3-dione
CID 82882239
5-iodo-2-[2-(1-methylimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 114532901
5-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 59541751

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The IUPAC name of 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione (CID 79785414) is 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The canonical SMILES for 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione is O=C1c2ccc(I)cc2C(=O)N1CC(F)(F)F.
What is the InChIKey of 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The InChIKey is IZKMEDHIUQWTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3INO2/c11-10(12,13)4-15-8(16)6-2-1-5(14)3-7(6)9(15)17/h1-3H,4H2.
What are the key properties of 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione has a molecular weight of 355.05 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione is sourced from PubChem (CID 79785414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).