2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate

C10H10F3NO4 — CID 162534842

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate
SMILESO=C(CCC(F)(F)F)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)4-3-9(17)18-6-5-14-7(15)1-2-8(14)16/h1-2H,3-6H2
InChIKeyRYJSGQPOAGTLPG-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.80
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate

2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate (PubChem CID 162534842) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate
PubChem CID162534842
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate
SMILESO=C(CCC(F)(F)F)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)4-3-9(17)18-6-5-14-7(15)1-2-8(14)16/h1-2H,3-6H2
InChIKeyRYJSGQPOAGTLPG-UHFFFAOYSA-N
XLogP0.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate (CID 162534842) is 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate is O=C(CCC(F)(F)F)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate?
The InChIKey is RYJSGQPOAGTLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)4-3-9(17)18-6-5-14-7(15)1-2-8(14)16/h1-2H,3-6H2.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate?
2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate has a molecular weight of 265.19 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl 4,4,4-trifluorobutanoate is sourced from PubChem (CID 162534842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).