1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione

C8H8F3NO2 — CID 86775583

IUPAC1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)4-1-5-12-6(13)2-3-7(12)14/h2-3H,1,4-5H2
InChIKeyVBMVZSXAGLVARJ-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.25
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione

1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione (PubChem CID 86775583) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione
PubChem CID86775583
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)4-1-5-12-6(13)2-3-7(12)14/h2-3H,1,4-5H2
InChIKeyVBMVZSXAGLVARJ-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(maleimido)butane
CID 239576
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
N-Butylmaleimide
CID 239780
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
1-pentyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 4168664
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19821160
3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
1-(2,2,3,4,4,4-Hexafluorobutyl)pyrrole-2,5-dione
CID 19821162
1-(2,2,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 19821163
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

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione (CID 86775583) is 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione?
The InChIKey is VBMVZSXAGLVARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)4-1-5-12-6(13)2-3-7(12)14/h2-3H,1,4-5H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione?
1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione has a molecular weight of 207.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 86775583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).