3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal

C8H11F3N2O2 — CID 84789602

IUPAC3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal
SMILESO=CCCN1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6-13-4-3-12(7(13)15)2-1-5-14/h5H,1-4,6H2
InChIKeyDNTLIQCGFYSUSU-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.88
Rot. Bonds4

About 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal

3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal (PubChem CID 84789602) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal.

Molecular Properties

Compound Name3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal
PubChem CID84789602
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal
SMILESO=CCCN1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6-13-4-3-12(7(13)15)2-1-5-14/h5H,1-4,6H2
InChIKeyDNTLIQCGFYSUSU-UHFFFAOYSA-N
XLogP0.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal?
The IUPAC name of 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal (CID 84789602) is 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal.
What is the SMILES notation for 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal?
The canonical SMILES for 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal is O=CCCN1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal?
The InChIKey is DNTLIQCGFYSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)6-13-4-3-12(7(13)15)2-1-5-14/h5H,1-4,6H2.
What are the key properties of 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal?
3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal has a molecular weight of 224.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal is sourced from PubChem (CID 84789602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).