1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione

C32H12F8N2O6 — CID 15041678

IUPAC1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(N5C(=O)C=CC5=O)cc4)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C32H12F8N2O6/c33-23-21(24(34)28(38)31(27(23)37)47-15-5-1-13(2-6-15)41-17(43)9-10-18(41)44)22-25(35)29(39)32(30(40)26(22)36)48-16-7-3-14(4-8-16)42-19(45)11-12-20(42)46/h1-12H
InChIKeyHKAPXGKJHOEVJT-UHFFFAOYSA-N
MW672.44 g/mol
LogP6.91
Rot. Bonds7

About 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione

1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 15041678) has the molecular formula C32H12F8N2O6 and a molecular weight of 672.44 g/mol. Its IUPAC name is 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione
PubChem CID15041678
Molecular FormulaC32H12F8N2O6
Molecular Weight672.44 g/mol
Exact Mass672.06
IUPAC Name1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(N5C(=O)C=CC5=O)cc4)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C32H12F8N2O6/c33-23-21(24(34)28(38)31(27(23)37)47-15-5-1-13(2-6-15)41-17(43)9-10-18(41)44)22-25(35)29(39)32(30(40)26(22)36)48-16-7-3-14(4-8-16)42-19(45)11-12-20(42)46/h1-12H
InChIKeyHKAPXGKJHOEVJT-UHFFFAOYSA-N
XLogP6.91
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.44
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione (CID 15041678) is 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(N5C(=O)C=CC5=O)cc4)c(F)c3F)c(F)c2F)cc1.
What is the InChIKey of 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is HKAPXGKJHOEVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12F8N2O6/c33-23-21(24(34)28(38)31(27(23)37)47-15-5-1-13(2-6-15)41-17(43)9-10-18(41)44)22-25(35)29(39)32(30(40)26(22)36)48-16-7-3-14(4-8-16)42-19(45)11-12-20(42)46/h1-12H.
What are the key properties of 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione?
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 672.44 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 15041678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).