5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

C6H7F3N2O — CID 123172288

IUPAC5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESC=C1CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-4-2-10-5(12)11(4)3-6(7,8)9/h1-3H2,(H,10,12)
InChIKeyMCPROMLGSWSGNO-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.09
Rot. Bonds1

About 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (PubChem CID 123172288) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
PubChem CID123172288
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESC=C1CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-4-2-10-5(12)11(4)3-6(7,8)9/h1-3H2,(H,10,12)
InChIKeyMCPROMLGSWSGNO-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The IUPAC name of 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (CID 123172288) is 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.
What is the SMILES notation for 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The canonical SMILES for 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is C=C1CNC(=O)N1CC(F)(F)F.
What is the InChIKey of 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The InChIKey is MCPROMLGSWSGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-4-2-10-5(12)11(4)3-6(7,8)9/h1-3H2,(H,10,12).
What are the key properties of 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one has a molecular weight of 180.13 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 123172288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).