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

C32H16F8N2O6 — CID 3576681

IUPAC1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(N5C(=O)CCC5=O)c4)c(F)c3F)c(F)c2F)c1
InChIInChI=1S/C32H16F8N2O6/c33-23-21(24(34)28(38)31(27(23)37)47-15-5-1-3-13(11-15)41-17(43)7-8-18(41)44)22-25(35)29(39)32(30(40)26(22)36)48-16-6-2-4-14(12-16)42-19(45)9-10-20(42)46/h1-6,11-12H,7-10H2
InChIKeyRALQZFCSFBBPKG-UHFFFAOYSA-N
MW676.47 g/mol
LogP7.36
Rot. Bonds7

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

1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione (PubChem CID 3576681) has the molecular formula C32H16F8N2O6 and a molecular weight of 676.47 g/mol. Its IUPAC name is 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione
PubChem CID3576681
Molecular FormulaC32H16F8N2O6
Molecular Weight676.47 g/mol
Exact Mass676.09
IUPAC Name1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(N5C(=O)CCC5=O)c4)c(F)c3F)c(F)c2F)c1
InChIInChI=1S/C32H16F8N2O6/c33-23-21(24(34)28(38)31(27(23)37)47-15-5-1-3-13(11-15)41-17(43)7-8-18(41)44)22-25(35)29(39)32(30(40)26(22)36)48-16-6-2-4-14(12-16)42-19(45)9-10-20(42)46/h1-6,11-12H,7-10H2
InChIKeyRALQZFCSFBBPKG-UHFFFAOYSA-N
XLogP7.36
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.47
LogP ≤ 57.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione (CID 3576681) is 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(N5C(=O)CCC5=O)c4)c(F)c3F)c(F)c2F)c1.
What is the InChIKey of 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione?
The InChIKey is RALQZFCSFBBPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16F8N2O6/c33-23-21(24(34)28(38)31(27(23)37)47-15-5-1-3-13(11-15)41-17(43)7-8-18(41)44)22-25(35)29(39)32(30(40)26(22)36)48-16-6-2-4-14(12-16)42-19(45)9-10-20(42)46/h1-6,11-12H,7-10H2.
What are the key properties of 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione?
1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione has a molecular weight of 676.47 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-[3-(2,5-dioxopyrrolidin-1-yl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3576681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).