1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione

C8H5F9NO2P — CID 175110170

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1PC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F9NO2P/c9-5(10,7(13,14)15)6(11,12)8(16,17)21-18-3(19)1-2-4(18)20/h21H,1-2H2
InChIKeyAKPMWCNJSNBZJV-UHFFFAOYSA-N
MW349.09 g/mol
LogP3.15
Rot. Bonds4

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione

1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione (PubChem CID 175110170) has the molecular formula C8H5F9NO2P and a molecular weight of 349.09 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione
PubChem CID175110170
Molecular FormulaC8H5F9NO2P
Molecular Weight349.09 g/mol
Exact Mass348.99
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1PC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F9NO2P/c9-5(10,7(13,14)15)6(11,12)8(16,17)21-18-3(19)1-2-4(18)20/h21H,1-2H2
InChIKeyAKPMWCNJSNBZJV-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.09
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione (CID 175110170) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1PC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione?
The InChIKey is AKPMWCNJSNBZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9NO2P/c9-5(10,7(13,14)15)6(11,12)8(16,17)21-18-3(19)1-2-4(18)20/h21H,1-2H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione has a molecular weight of 349.09 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylphosphanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 175110170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).