1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione

C15H4F14N2O4 — CID 19774360

IUPAC1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O
InChIInChI=1S/C15H4F14N2O4/c16-9(17,10(18,19)12(22,23)14(26,27)30-5(32)1-2-6(30)33)11(20,21)13(24,25)15(28,29)31-7(34)3-4-8(31)35/h1-4H
InChIKeyZZDWWDFOZIOCQG-UHFFFAOYSA-N
MW542.18 g/mol
LogP3.20
Rot. Bonds8

About 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione

1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione (PubChem CID 19774360) has the molecular formula C15H4F14N2O4 and a molecular weight of 542.18 g/mol. Its IUPAC name is 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione
PubChem CID19774360
Molecular FormulaC15H4F14N2O4
Molecular Weight542.18 g/mol
Exact Mass541.99
IUPAC Name1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O
InChIInChI=1S/C15H4F14N2O4/c16-9(17,10(18,19)12(22,23)14(26,27)30-5(32)1-2-6(30)33)11(20,21)13(24,25)15(28,29)31-7(34)3-4-8(31)35/h1-4H
InChIKeyZZDWWDFOZIOCQG-UHFFFAOYSA-N
XLogP3.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.18
LogP ≤ 53.20
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-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione?
The IUPAC name of 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione (CID 19774360) is 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(F)(F)C(F)(F)C(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-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione?
The InChIKey is ZZDWWDFOZIOCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4F14N2O4/c16-9(17,10(18,19)12(22,23)14(26,27)30-5(32)1-2-6(30)33)11(20,21)13(24,25)15(28,29)31-7(34)3-4-8(31)35/h1-4H.
What are the key properties of 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione?
1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione has a molecular weight of 542.18 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,5-dioxopyrrol-1-yl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl]pyrrole-2,5-dione is sourced from PubChem (CID 19774360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).