2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride

C10H14FNO3 — CID 166956178

IUPAC2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride
SMILESCC(C)(C)C1CC(=O)N(CC(=O)F)C1=O
InChIInChI=1S/C10H14FNO3/c1-10(2,3)6-4-8(14)12(9(6)15)5-7(11)13/h6H,4-5H2,1-3H3
InChIKeyABYPJVQBRDTTJH-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.90
Rot. Bonds2

About 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride

2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride (PubChem CID 166956178) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride.

Molecular Properties

Compound Name2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride
PubChem CID166956178
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride
SMILESCC(C)(C)C1CC(=O)N(CC(=O)F)C1=O
InChIInChI=1S/C10H14FNO3/c1-10(2,3)6-4-8(14)12(9(6)15)5-7(11)13/h6H,4-5H2,1-3H3
InChIKeyABYPJVQBRDTTJH-UHFFFAOYSA-N
XLogP0.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride?
The IUPAC name of 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride (CID 166956178) is 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride.
What is the SMILES notation for 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride?
The canonical SMILES for 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride is CC(C)(C)C1CC(=O)N(CC(=O)F)C1=O.
What is the InChIKey of 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride?
The InChIKey is ABYPJVQBRDTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-10(2,3)6-4-8(14)12(9(6)15)5-7(11)13/h6H,4-5H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride?
2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride has a molecular weight of 215.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)acetyl fluoride is sourced from PubChem (CID 166956178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).