1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione

C15H8F17NO2 — CID 130475750

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione
SMILESCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O
InChIInChI=1S/C15H8F17NO2/c1-2-5(16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33-6(34)3-4-7(33)35/h3-5H,2H2,1H3
InChIKeyIGGXRDTZSWFJAU-UHFFFAOYSA-N
MW557.20 g/mol
LogP5.70
Rot. Bonds10

About 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione

1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione (PubChem CID 130475750) has the molecular formula C15H8F17NO2 and a molecular weight of 557.20 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione
PubChem CID130475750
Molecular FormulaC15H8F17NO2
Molecular Weight557.20 g/mol
Exact Mass557.03
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione
SMILESCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O
InChIInChI=1S/C15H8F17NO2/c1-2-5(16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33-6(34)3-4-7(33)35/h3-5H,2H2,1H3
InChIKeyIGGXRDTZSWFJAU-UHFFFAOYSA-N
XLogP5.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.20
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-1-(1,1,2,2,3,3,4,4,5,5,6-undecafluorooctoxy)octane
CID 139622993
1,1,2,2,3,3,4,4,5,5,6-undecafluorooctane-1-sulfonic acid
CID 122480896
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl(trimethoxy)silane
CID 54245041
1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
CID 19359359
1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione
CID 130234844
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorodecyl 2-sulfooxypropanoate
CID 18954963
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
CID 139543847
1-(1,2,2,3,3,4,4,4-octafluorobutyl)pyrrole-2,5-dione
CID 88525429
1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione
CID 125475529
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorodecyl 2-phosphanyloxyoctanoate
CID 19783857
1-(2,4-dimethylpentan-2-yl)pyrrole-2,5-dione
CID 123254640

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione (CID 130475750) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione is CCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione?
The InChIKey is IGGXRDTZSWFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F17NO2/c1-2-5(16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33-6(34)3-4-7(33)35/h3-5H,2H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione?
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione has a molecular weight of 557.20 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione is sourced from PubChem (CID 130475750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).