3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione

C15H8F17NO2 — CID 140674444

IUPAC3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
SMILESO=C1C=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(F)(F)F)C(=O)N1
InChIInChI=1S/C15H8F17NO2/c16-8(17,2-1-3-9(18,19)20)11(23,24)13(27,28)15(31,32)14(29,30)12(25,26)10(21,22)5-4-6(34)33-7(5)35/h4H,1-3H2,(H,33,34,35)
InChIKeyWCDPLLJGHLFJIQ-UHFFFAOYSA-N
MW557.20 g/mol
LogP5.75
Rot. Bonds10

About 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione

3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione (PubChem CID 140674444) has the molecular formula C15H8F17NO2 and a molecular weight of 557.20 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
PubChem CID140674444
Molecular FormulaC15H8F17NO2
Molecular Weight557.20 g/mol
Exact Mass557.03
IUPAC Name3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
SMILESO=C1C=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(F)(F)F)C(=O)N1
InChIInChI=1S/C15H8F17NO2/c16-8(17,2-1-3-9(18,19)20)11(23,24)13(27,28)15(31,32)14(29,30)12(25,26)10(21,22)5-4-6(34)33-7(5)35/h4H,1-3H2,(H,33,34,35)
InChIKeyWCDPLLJGHLFJIQ-UHFFFAOYSA-N
XLogP5.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.20
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Nonafluorohexyl)maleimide
CID 172640415
3-Octadecylpyrrole-2,5-dione
CID 19810759
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
Hexamethylene-bis-maleimide
CID 22989081
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)pyrrole-2,5-dione
CID 22564590
3-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)pyrrole-2,5-dione
CID 87178123
3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)pyrrole-2,5-dione
CID 87178250
3-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)pyrrole-2,5-dione
CID 87178390
3-Fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)pyrrole-2,5-dione
CID 87970597
3-(1,1,2,2,3,3,4,4,5,5,6,6,7-Tridecafluorononyl)pyrrole-2,5-dione
CID 88932466
3-(1,2,2,3,3,4,4,5,6,7,8,9,9-Tridecafluorononyl)pyrrole-2,5-dione
CID 88932467

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione (CID 140674444) is 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione is O=C1C=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(F)(F)F)C(=O)N1.
What is the InChIKey of 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione?
The InChIKey is WCDPLLJGHLFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F17NO2/c16-8(17,2-1-3-9(18,19)20)11(23,24)13(27,28)15(31,32)14(29,30)12(25,26)10(21,22)5-4-6(34)33-7(5)35/h4H,1-3H2,(H,33,34,35).
What are the key properties of 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione?
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione has a molecular weight of 557.20 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione is sourced from PubChem (CID 140674444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).