3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione

C11H8FNO2 — CID 106695029

IUPAC3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(F)ccc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H8FNO2/c1-6-4-7(12)2-3-8(6)9-5-10(14)13-11(9)15/h2-5H,1H3,(H,13,14,15)
InChIKeyVMSCATAOUKRKBX-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.17
Rot. Bonds1

About 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione

3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione (PubChem CID 106695029) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione
PubChem CID106695029
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(F)ccc1C1=CC(=O)NC1=O
InChIInChI=1S/C11H8FNO2/c1-6-4-7(12)2-3-8(6)9-5-10(14)13-11(9)15/h2-5H,1H3,(H,13,14,15)
InChIKeyVMSCATAOUKRKBX-UHFFFAOYSA-N
XLogP1.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione (CID 106695029) is 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione is Cc1cc(F)ccc1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is VMSCATAOUKRKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-6-4-7(12)2-3-8(6)9-5-10(14)13-11(9)15/h2-5H,1H3,(H,13,14,15).
What are the key properties of 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione?
3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 205.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106695029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).