2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione

C15H8F2INO2 — CID 79782206

IUPAC2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione
SMILESO=C1c2cccc(I)c2C(=O)N1Cc1cc(F)ccc1F
InChIInChI=1S/C15H8F2INO2/c16-9-4-5-11(17)8(6-9)7-19-14(20)10-2-1-3-12(18)13(10)15(19)21/h1-6H,7H2
InChIKeyFWFODVGBHGOPOI-UHFFFAOYSA-N
MW399.13 g/mol
LogP3.37
Rot. Bonds2

About 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione

2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione (PubChem CID 79782206) has the molecular formula C15H8F2INO2 and a molecular weight of 399.13 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione
PubChem CID79782206
Molecular FormulaC15H8F2INO2
Molecular Weight399.13 g/mol
Exact Mass398.96
IUPAC Name2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione
SMILESO=C1c2cccc(I)c2C(=O)N1Cc1cc(F)ccc1F
InChIInChI=1S/C15H8F2INO2/c16-9-4-5-11(17)8(6-9)7-19-14(20)10-2-1-3-12(18)13(10)15(19)21/h1-6H,7H2
InChIKeyFWFODVGBHGOPOI-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione (CID 79782206) is 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione is O=C1c2cccc(I)c2C(=O)N1Cc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione?
The InChIKey is FWFODVGBHGOPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2INO2/c16-9-4-5-11(17)8(6-9)7-19-14(20)10-2-1-3-12(18)13(10)15(19)21/h1-6H,7H2.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione?
2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione has a molecular weight of 399.13 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione is sourced from PubChem (CID 79782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).