1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione

C28H14F6N2O6 — CID 141169978

IUPAC1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1Oc1cc(Oc2ccccc2N2C(=O)C=CC2=O)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C28H14F6N2O6/c29-27(30,31)15-13-16(28(32,33)34)22(42-20-8-4-2-6-18(20)36-25(39)11-12-26(36)40)14-21(15)41-19-7-3-1-5-17(19)35-23(37)9-10-24(35)38/h1-14H
InChIKeyFFJPRHPDEYWSQI-UHFFFAOYSA-N
MW588.42 g/mol
LogP6.17
Rot. Bonds6

About 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione

1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 141169978) has the molecular formula C28H14F6N2O6 and a molecular weight of 588.42 g/mol. Its IUPAC name is 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
PubChem CID141169978
Molecular FormulaC28H14F6N2O6
Molecular Weight588.42 g/mol
Exact Mass588.08
IUPAC Name1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1Oc1cc(Oc2ccccc2N2C(=O)C=CC2=O)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C28H14F6N2O6/c29-27(30,31)15-13-16(28(32,33)34)22(42-20-8-4-2-6-18(20)36-25(39)11-12-26(36)40)14-21(15)41-19-7-3-1-5-17(19)35-23(37)9-10-24(35)38/h1-14H
InChIKeyFFJPRHPDEYWSQI-UHFFFAOYSA-N
XLogP6.17
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione (CID 141169978) is 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccccc1Oc1cc(Oc2ccccc2N2C(=O)C=CC2=O)c(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is FFJPRHPDEYWSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14F6N2O6/c29-27(30,31)15-13-16(28(32,33)34)22(42-20-8-4-2-6-18(20)36-25(39)11-12-26(36)40)14-21(15)41-19-7-3-1-5-17(19)35-23(37)9-10-24(35)38/h1-14H.
What are the key properties of 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione?
1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 588.42 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 141169978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).