1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione

C11H4F11NO2 — CID 87905786

IUPAC1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H4F11NO2/c12-6(3-23-4(24)1-2-5(23)25)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1-2H,3H2
InChIKeyQHYGIUYZFRQVKG-UHFFFAOYSA-N
MW391.14 g/mol
LogP2.81
Rot. Bonds2

About 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione

1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione (PubChem CID 87905786) has the molecular formula C11H4F11NO2 and a molecular weight of 391.14 g/mol. Its IUPAC name is 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione
PubChem CID87905786
Molecular FormulaC11H4F11NO2
Molecular Weight391.14 g/mol
Exact Mass391.01
IUPAC Name1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H4F11NO2/c12-6(3-23-4(24)1-2-5(23)25)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1-2H,3H2
InChIKeyQHYGIUYZFRQVKG-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione with MolForge

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Related Compounds

N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)maleimide
CID 11157197
1-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)-1H-pyrrole-2,5-dione
CID 11294045
N-cyclohexylmethylmaleimide
CID 18361637
Maleimidoethyl cyclohexane
CID 60920082
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)pyrrole-2,5-dione
CID 19821164
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)pyrrole-2,5-dione
CID 20319914
1-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)pyrrole-2,5-dione
CID 59018754
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)pyrrole-2,5-dione
CID 59018781
1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Hexadecafluorooctyl)pyrrole-2,5-dione
CID 88810332
1-(4,4,5,5,6,6-Hexafluoroheptyl)pyrrole-2,5-dione
CID 91485306
1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)-3-pyrroline-2,5-dione
CID 102408237
1-(7,7,7-Trifluoroheptyl)pyrrole-2,5-dione
CID 118665916

Frequently Asked Questions

What is the IUPAC name of 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione (CID 87905786) is 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione?
The InChIKey is QHYGIUYZFRQVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F11NO2/c12-6(3-23-4(24)1-2-5(23)25)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1-2H,3H2.
What are the key properties of 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione?
1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione has a molecular weight of 391.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 87905786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).