1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione

C19H11F6NO3 — CID 22079278

IUPAC1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(C(F)(C(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H11F6NO3/c20-17(21)18(22,19(23,24)25)11-1-5-13(6-2-11)29-14-7-3-12(4-8-14)26-15(27)9-10-16(26)28/h1-10,17H
InChIKeyNCKXJWZEQFIANH-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.90
Rot. Bonds5

About 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione

1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 22079278) has the molecular formula C19H11F6NO3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione
PubChem CID22079278
Molecular FormulaC19H11F6NO3
Molecular Weight415.29 g/mol
Exact Mass415.06
IUPAC Name1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccc(C(F)(C(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H11F6NO3/c20-17(21)18(22,19(23,24)25)11-1-5-13(6-2-11)29-14-7-3-12(4-8-14)26-15(27)9-10-16(26)28/h1-10,17H
InChIKeyNCKXJWZEQFIANH-UHFFFAOYSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[2-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 18995304
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 141170010
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
CID 141170020
1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 163499593
1-[4-[4-[2-[3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 15277901
2,6-bis[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 15248747
1-[4-[4-[2-[4-[4-(2,5-dioxocyclopent-3-en-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 177130091
5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 167135654
bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane
CID 158451070
1-[2-[4-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19774364
1-[4-[4-[1,1-bis[4-[4-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 102282521

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione (CID 22079278) is 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Oc2ccc(C(F)(C(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is NCKXJWZEQFIANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NO3/c20-17(21)18(22,19(23,24)25)11-1-5-13(6-2-11)29-14-7-3-12(4-8-14)26-15(27)9-10-16(26)28/h1-10,17H.
What are the key properties of 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 415.29 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 22079278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).