1-methyl-5-(trifluoromethoxy)imidazolidin-2-one

C5H7F3N2O2 — CID 123288286

IUPAC1-methyl-5-(trifluoromethoxy)imidazolidin-2-one
SMILESCN1C(=O)NCC1OC(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c1-10-3(2-9-4(10)11)12-5(6,7)8/h3H,2H2,1H3,(H,9,11)
InChIKeyMHKSTUWNEQPLFG-UHFFFAOYSA-N
MW184.12 g/mol
LogP0.50
Rot. Bonds1

About 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one

1-methyl-5-(trifluoromethoxy)imidazolidin-2-one (PubChem CID 123288286) has the molecular formula C5H7F3N2O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethoxy)imidazolidin-2-one
PubChem CID123288286
Molecular FormulaC5H7F3N2O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC Name1-methyl-5-(trifluoromethoxy)imidazolidin-2-one
SMILESCN1C(=O)NCC1OC(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c1-10-3(2-9-4(10)11)12-5(6,7)8/h3H,2H2,1H3,(H,9,11)
InChIKeyMHKSTUWNEQPLFG-UHFFFAOYSA-N
XLogP0.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one?
The IUPAC name of 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one (CID 123288286) is 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one?
The canonical SMILES for 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one is CN1C(=O)NCC1OC(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one?
The InChIKey is MHKSTUWNEQPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2/c1-10-3(2-9-4(10)11)12-5(6,7)8/h3H,2H2,1H3,(H,9,11).
What are the key properties of 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one?
1-methyl-5-(trifluoromethoxy)imidazolidin-2-one has a molecular weight of 184.12 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethoxy)imidazolidin-2-one is sourced from PubChem (CID 123288286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).