1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione

C10H5FN2O4 — CID 2783302

IUPAC1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H5FN2O4/c11-7-2-1-6(5-8(7)13(16)17)12-9(14)3-4-10(12)15/h1-5H
InChIKeyFPNVMFULBBEITM-UHFFFAOYSA-N
MW236.16 g/mol
LogP1.16
Rot. Bonds2

About 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione

1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione (PubChem CID 2783302) has the molecular formula C10H5FN2O4 and a molecular weight of 236.16 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
PubChem CID2783302
Molecular FormulaC10H5FN2O4
Molecular Weight236.16 g/mol
Exact Mass236.02
IUPAC Name1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H5FN2O4/c11-7-2-1-6(5-8(7)13(16)17)12-9(14)3-4-10(12)15/h1-5H
InChIKeyFPNVMFULBBEITM-UHFFFAOYSA-N
XLogP1.16
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
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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Related Compounds

1-[4-(2,5-dioxopyrrol-1-yl)-3-nitrophenyl]pyrrole-2,5-dione
CID 70397403
1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione
CID 3299565
(1S,2S,6S,7S)-1,7,8,9,10,10-hexachloro-4-(4-fluoro-3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98545425
6-(4-fluoro-3-nitrophenyl)benzo[d][2]benzazepine-5,7-dione
CID 4592242
1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
CID 115370462
1-(4-fluoro-3-nitrophenyl)-4-methyltetrazol-5-one
CID 58287202
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
4-fluoro-3-nitrobenzenediazonium
CID 10901209
1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione
CID 2834581
(3S)-3-(2,3-dihydroindol-1-yl)-1-(4-fluoro-3-nitrophenyl)pyrrolidine-2,5-dione
CID 1422426
1,4-difluoro-2,5-dinitrobenzene
CID 14951568

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione (CID 2783302) is 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is FPNVMFULBBEITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O4/c11-7-2-1-6(5-8(7)13(16)17)12-9(14)3-4-10(12)15/h1-5H.
What are the key properties of 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione?
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 236.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 2783302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).