1-(2,2,2-trifluoroacetyl)imidazolidin-2-one

C5H5F3N2O2 — CID 23459989

IUPAC1-(2,2,2-trifluoroacetyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)3(11)10-2-1-9-4(10)12/h1-2H2,(H,9,12)
InChIKeyACUWFQYXVZLYSM-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.10
Rot. Bonds

About 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one

1-(2,2,2-trifluoroacetyl)imidazolidin-2-one (PubChem CID 23459989) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)imidazolidin-2-one
PubChem CID23459989
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name1-(2,2,2-trifluoroacetyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)3(11)10-2-1-9-4(10)12/h1-2H2,(H,9,12)
InChIKeyACUWFQYXVZLYSM-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one (CID 23459989) is 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one is O=C1NCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one?
The InChIKey is ACUWFQYXVZLYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c6-5(7,8)3(11)10-2-1-9-4(10)12/h1-2H2,(H,9,12).
What are the key properties of 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one?
1-(2,2,2-trifluoroacetyl)imidazolidin-2-one has a molecular weight of 182.10 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)imidazolidin-2-one is sourced from PubChem (CID 23459989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).