1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione

C7H2F7NO2 — CID 22182914

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F7NO2/c8-5(6(9,10)11,7(12,13)14)15-3(16)1-2-4(15)17/h1-2H
InChIKeyPVTKFASWBXUHCI-UHFFFAOYSA-N
MW265.08 g/mol
LogP1.70
Rot. Bonds1

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione (PubChem CID 22182914) has the molecular formula C7H2F7NO2 and a molecular weight of 265.08 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione
PubChem CID22182914
Molecular FormulaC7H2F7NO2
Molecular Weight265.08 g/mol
Exact Mass265.00
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F7NO2/c8-5(6(9,10)11,7(12,13)14)15-3(16)1-2-4(15)17/h1-2H
InChIKeyPVTKFASWBXUHCI-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione (CID 22182914) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione?
The InChIKey is PVTKFASWBXUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F7NO2/c8-5(6(9,10)11,7(12,13)14)15-3(16)1-2-4(15)17/h1-2H.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione has a molecular weight of 265.08 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22182914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).