1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione

C12H9FINO2 — CID 79766324

IUPAC1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccc(F)cc2I)C1=O
InChIInChI=1S/C12H9FINO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyMRMOFNJTXGJRMG-UHFFFAOYSA-N
MW345.11 g/mol
LogP2.64
Rot. Bonds1

About 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione

1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 79766324) has the molecular formula C12H9FINO2 and a molecular weight of 345.11 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID79766324
Molecular FormulaC12H9FINO2
Molecular Weight345.11 g/mol
Exact Mass344.97
IUPAC Name1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccc(F)cc2I)C1=O
InChIInChI=1S/C12H9FINO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyMRMOFNJTXGJRMG-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.11
LogP ≤ 52.64
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 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione (CID 79766324) is 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(c2ccc(F)cc2I)C1=O.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is MRMOFNJTXGJRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FINO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3.
What are the key properties of 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione?
1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 345.11 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 79766324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).