1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane

C8H6F9NO3 — CID 160969301

IUPAC1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)F.O=C1CCC(=O)N1O
InChIInChI=1S/C4HF9.C4H5NO3/c5-1(6)2(7,8)3(9,10)4(11,12)13;6-3-1-2-4(7)5(3)8/h1H;8H,1-2H2
InChIKeySYAYONPBXLHIFQ-UHFFFAOYSA-N
MW335.12 g/mol
LogP2.61
Rot. Bonds2

About 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane

1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane (PubChem CID 160969301) has the molecular formula C8H6F9NO3 and a molecular weight of 335.12 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane
PubChem CID160969301
Molecular FormulaC8H6F9NO3
Molecular Weight335.12 g/mol
Exact Mass335.02
IUPAC Name1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)F.O=C1CCC(=O)N1O
InChIInChI=1S/C4HF9.C4H5NO3/c5-1(6)2(7,8)3(9,10)4(11,12)13;6-3-1-2-4(7)5(3)8/h1H;8H,1-2H2
InChIKeySYAYONPBXLHIFQ-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane (CID 160969301) is 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane is FC(F)C(F)(F)C(F)(F)C(F)(F)F.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The InChIKey is SYAYONPBXLHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9.C4H5NO3/c5-1(6)2(7,8)3(9,10)4(11,12)13;6-3-1-2-4(7)5(3)8/h1H;8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane?
1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane has a molecular weight of 335.12 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;1,1,1,2,2,3,3,4,4-nonafluorobutane is sourced from PubChem (CID 160969301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).