(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate

C6H4F3NO4 — CID 10867564

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C1CCC(=O)N1OC(=O)C(F)(F)F
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2H2
InChIKeyNIANZCQUVKPGSF-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.16
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate

(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 10867564) has the molecular formula C6H4F3NO4 and a molecular weight of 211.09 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID10867564
Molecular FormulaC6H4F3NO4
Molecular Weight211.09 g/mol
Exact Mass211.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C1CCC(=O)N1OC(=O)C(F)(F)F
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2H2
InChIKeyNIANZCQUVKPGSF-UHFFFAOYSA-N
XLogP0.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate
CID 159060589
(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate
CID 88741916
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
CID 129106442
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 129142210
(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 12023731

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate (CID 10867564) is (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate is O=C1CCC(=O)N1OC(=O)C(F)(F)F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is NIANZCQUVKPGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate?
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 211.09 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 10867564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).