3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione

C10H4F2N2O4 — CID 106695119

IUPAC3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2c(F)cc(F)cc2[N+](=O)[O-])C(=O)N1
InChIInChI=1S/C10H4F2N2O4/c11-4-1-6(12)9(7(2-4)14(17)18)5-3-8(15)13-10(5)16/h1-3H,(H,13,15,16)
InChIKeyQAJJPSCJJIQFES-UHFFFAOYSA-N
MW254.15 g/mol
LogP0.91
Rot. Bonds2

About 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione

3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione (PubChem CID 106695119) has the molecular formula C10H4F2N2O4 and a molecular weight of 254.15 g/mol. Its IUPAC name is 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione
PubChem CID106695119
Molecular FormulaC10H4F2N2O4
Molecular Weight254.15 g/mol
Exact Mass254.01
IUPAC Name3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2c(F)cc(F)cc2[N+](=O)[O-])C(=O)N1
InChIInChI=1S/C10H4F2N2O4/c11-4-1-6(12)9(7(2-4)14(17)18)5-3-8(15)13-10(5)16/h1-3H,(H,13,15,16)
InChIKeyQAJJPSCJJIQFES-UHFFFAOYSA-N
XLogP0.91
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione (CID 106695119) is 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione is O=C1C=C(c2c(F)cc(F)cc2[N+](=O)[O-])C(=O)N1.
What is the InChIKey of 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is QAJJPSCJJIQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2O4/c11-4-1-6(12)9(7(2-4)14(17)18)5-3-8(15)13-10(5)16/h1-3H,(H,13,15,16).
What are the key properties of 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione?
3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 254.15 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106695119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).