pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium

C8H5F12NO2P+ — CID 175110171

IUPACpyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[P+](F)(F)F.O=C1CCC(=O)N1
InChIInChI=1S/C4F12P.C4H5NO2/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;6-3-1-2-4(7)5-3/h;1-2H2,(H,5,6,7)/q+1;
InChIKeyMQOCUMIJKIRTJZ-UHFFFAOYSA-N
MW406.08 g/mol
LogP4.51
Rot. Bonds3

About pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium

pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium (PubChem CID 175110171) has the molecular formula C8H5F12NO2P+ and a molecular weight of 406.08 g/mol. Its IUPAC name is pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium.

Molecular Properties

Compound Namepyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium
PubChem CID175110171
Molecular FormulaC8H5F12NO2P+
Molecular Weight406.08 g/mol
Exact Mass405.99
IUPAC Namepyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[P+](F)(F)F.O=C1CCC(=O)N1
InChIInChI=1S/C4F12P.C4H5NO2/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;6-3-1-2-4(7)5-3/h;1-2H2,(H,5,6,7)/q+1;
InChIKeyMQOCUMIJKIRTJZ-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.08
LogP ≤ 54.51
H-Bond Donors ≤ 51
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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Related Compounds

CID 145785260
CID 145785260
CID 157099181
CID 157099181
CID 158532811
CID 158532811
CID 159973427
CID 159973427
CID 175055206
CID 175055206
CID 175110172
CID 175110172
CID 175270196
CID 175270196
CID 156198114
CID 156198114
CID 172862380
CID 172862380
CID 175374253
CID 175374253

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium?
The IUPAC name of pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium (CID 175110171) is pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium.
What is the SMILES notation for pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium?
The canonical SMILES for pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[P+](F)(F)F.O=C1CCC(=O)N1.
What is the InChIKey of pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium?
The InChIKey is MQOCUMIJKIRTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F12P.C4H5NO2/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;6-3-1-2-4(7)5-3/h;1-2H2,(H,5,6,7)/q+1;.
What are the key properties of pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium?
pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium has a molecular weight of 406.08 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,5-dione;trifluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphanium is sourced from PubChem (CID 175110171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).