2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione

C14H7FINO2 — CID 114259645

IUPAC2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(F)c1I
InChIInChI=1S/C14H7FINO2/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(17)19/h1-7H
InChIKeyUNMYBUUHQLLGFB-UHFFFAOYSA-N
MW367.12 g/mol
LogP3.23
Rot. Bonds1

About 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione

2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione (PubChem CID 114259645) has the molecular formula C14H7FINO2 and a molecular weight of 367.12 g/mol. Its IUPAC name is 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
PubChem CID114259645
Molecular FormulaC14H7FINO2
Molecular Weight367.12 g/mol
Exact Mass366.95
IUPAC Name2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(F)c1I
InChIInChI=1S/C14H7FINO2/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(17)19/h1-7H
InChIKeyUNMYBUUHQLLGFB-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.12
LogP ≤ 53.23
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

2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516014
3-(3-fluoro-2-iodophenyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 114259643
5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
CID 168518946
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
CID 555038
2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
CID 168519425
2-[3-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]isoindole-1,3-dione
CID 168519318
2-(2-aminophenyl)isoindole-1,3-dione;hydrate
CID 45045681
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518278
2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
CID 13202311
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione (CID 114259645) is 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(F)c1I.
What is the InChIKey of 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione?
The InChIKey is UNMYBUUHQLLGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FINO2/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(17)19/h1-7H.
What are the key properties of 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione?
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione has a molecular weight of 367.12 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione is sourced from PubChem (CID 114259645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).