(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate

C9H9F3N2O6 — CID 88741916

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate
SMILESO=C(OCCNC(=O)C(F)(F)F)ON1C(=O)CCC1=O
InChIInChI=1S/C9H9F3N2O6/c10-9(11,12)7(17)13-3-4-19-8(18)20-14-5(15)1-2-6(14)16/h1-4H2,(H,13,17)
InChIKeySODNWVKLEZOXME-UHFFFAOYSA-N
MW298.17 g/mol
LogP-0.12
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate

(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate (PubChem CID 88741916) has the molecular formula C9H9F3N2O6 and a molecular weight of 298.17 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate
PubChem CID88741916
Molecular FormulaC9H9F3N2O6
Molecular Weight298.17 g/mol
Exact Mass298.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate
SMILESO=C(OCCNC(=O)C(F)(F)F)ON1C(=O)CCC1=O
InChIInChI=1S/C9H9F3N2O6/c10-9(11,12)7(17)13-3-4-19-8(18)20-14-5(15)1-2-6(14)16/h1-4H2,(H,13,17)
InChIKeySODNWVKLEZOXME-UHFFFAOYSA-N
XLogP-0.12
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
CID 169105698
2,2,2-trifluoroacetic acid;2-[(2,2,2-trifluoroacetyl)amino]ethyl carbamate
CID 175565689
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737
2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 122429871
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate (CID 88741916) is (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate is O=C(OCCNC(=O)C(F)(F)F)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate?
The InChIKey is SODNWVKLEZOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O6/c10-9(11,12)7(17)13-3-4-19-8(18)20-14-5(15)1-2-6(14)16/h1-4H2,(H,13,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate has a molecular weight of 298.17 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate is sourced from PubChem (CID 88741916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).