3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C10H12F3N3O3 — CID 138024977

IUPAC3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-1-2-15(4-6)8(18)5-16-7(17)3-14-9(16)19/h6H,1-5H2,(H,14,19)
InChIKeyAOHPBTALACVYJV-UHFFFAOYSA-N
MW279.22 g/mol
LogP-0.05
Rot. Bonds2

About 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 138024977) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID138024977
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-1-2-15(4-6)8(18)5-16-7(17)3-14-9(16)19/h6H,1-5H2,(H,14,19)
InChIKeyAOHPBTALACVYJV-UHFFFAOYSA-N
XLogP-0.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Pyrrolidin-1-ylbut-2-ynyl)imidazolidine-2,4-dione
CID 15669675
3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide
CID 54051423
5-Propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 116013104
1-[(3,3-Difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione
CID 153438751
1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione
CID 175002614
3-(2,2-Difluoroethyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 176017195
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8851907
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 17402344
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 41089968
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 41089973
5-Methyl-3-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265882

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 138024977) is 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is AOHPBTALACVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)6-1-2-15(4-6)8(18)5-16-7(17)3-14-9(16)19/h6H,1-5H2,(H,14,19).
What are the key properties of 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 279.22 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138024977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).