1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione

C13H4F10N2O4 — CID 19774365

IUPAC1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O
InChIInChI=1S/C13H4F10N2O4/c14-9(15,10(16,17)12(20,21)24-5(26)1-2-6(24)27)11(18,19)13(22,23)25-7(28)3-4-8(25)29/h1-4H
InChIKeyXUAZHUOFRABCSY-UHFFFAOYSA-N
MW442.17 g/mol
LogP1.93
Rot. Bonds6

About 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione

1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione (PubChem CID 19774365) has the molecular formula C13H4F10N2O4 and a molecular weight of 442.17 g/mol. Its IUPAC name is 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione
PubChem CID19774365
Molecular FormulaC13H4F10N2O4
Molecular Weight442.17 g/mol
Exact Mass442.00
IUPAC Name1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O
InChIInChI=1S/C13H4F10N2O4/c14-9(15,10(16,17)12(20,21)24-5(26)1-2-6(24)27)11(18,19)13(22,23)25-7(28)3-4-8(25)29/h1-4H
InChIKeyXUAZHUOFRABCSY-UHFFFAOYSA-N
XLogP1.93
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione (CID 19774365) is 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione?
The InChIKey is XUAZHUOFRABCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F10N2O4/c14-9(15,10(16,17)12(20,21)24-5(26)1-2-6(24)27)11(18,19)13(22,23)25-7(28)3-4-8(25)29/h1-4H.
What are the key properties of 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione?
1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione has a molecular weight of 442.17 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]pyrrole-2,5-dione is sourced from PubChem (CID 19774365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).