3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione

C10H5F4NO2 — CID 139926984

IUPAC3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
SMILESO=C1C=C(C2(F)C=C(F)C(F)=CC2F)C(=O)N1
InChIInChI=1S/C10H5F4NO2/c11-5-2-7(13)10(14,3-6(5)12)4-1-8(16)15-9(4)17/h1-3,7H,(H,15,16,17)
InChIKeyOQGMMBMDKVHRIA-UHFFFAOYSA-N
MW247.15 g/mol
LogP1.34
Rot. Bonds1

About 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione

3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione (PubChem CID 139926984) has the molecular formula C10H5F4NO2 and a molecular weight of 247.15 g/mol. Its IUPAC name is 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
PubChem CID139926984
Molecular FormulaC10H5F4NO2
Molecular Weight247.15 g/mol
Exact Mass247.03
IUPAC Name3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
SMILESO=C1C=C(C2(F)C=C(F)C(F)=CC2F)C(=O)N1
InChIInChI=1S/C10H5F4NO2/c11-5-2-7(13)10(14,3-6(5)12)4-1-8(16)15-9(4)17/h1-3,7H,(H,15,16,17)
InChIKeyOQGMMBMDKVHRIA-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(2,5-Dioxopyrrol-3-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione
CID 70040175
3-(1,3,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 178622271
3-Cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione
CID 19021935
3-[6-(Oxomethylidene)cyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione
CID 141368825

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione (CID 139926984) is 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione is O=C1C=C(C2(F)C=C(F)C(F)=CC2F)C(=O)N1.
What is the InChIKey of 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The InChIKey is OQGMMBMDKVHRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO2/c11-5-2-7(13)10(14,3-6(5)12)4-1-8(16)15-9(4)17/h1-3,7H,(H,15,16,17).
What are the key properties of 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione has a molecular weight of 247.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6-tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 139926984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).