1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione

C8H7F9NO2P — CID 175110172

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)P.O=C1CCC(=O)N1
InChIInChI=1S/C4H2F9P.C4H5NO2/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;6-3-1-2-4(7)5-3/h14H2;1-2H2,(H,5,6,7)
InChIKeyQDPDXNYMDDYSOU-UHFFFAOYSA-N
MW351.11 g/mol
LogP2.71
Rot. Bonds2

About 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione

1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione (PubChem CID 175110172) has the molecular formula C8H7F9NO2P and a molecular weight of 351.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione
PubChem CID175110172
Molecular FormulaC8H7F9NO2P
Molecular Weight351.11 g/mol
Exact Mass351.01
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)P.O=C1CCC(=O)N1
InChIInChI=1S/C4H2F9P.C4H5NO2/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;6-3-1-2-4(7)5-3/h14H2;1-2H2,(H,5,6,7)
InChIKeyQDPDXNYMDDYSOU-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.11
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione (CID 175110172) is 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)P.O=C1CCC(=O)N1.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione?
The InChIKey is QDPDXNYMDDYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9P.C4H5NO2/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;6-3-1-2-4(7)5-3/h14H2;1-2H2,(H,5,6,7).
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione?
1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione has a molecular weight of 351.11 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione is sourced from PubChem (CID 175110172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).