(5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

C6H9F3N2O — CID 89424191

IUPAC(5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESC[C@H]1CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-4-2-10-5(12)11(4)3-6(7,8)9/h4H,2-3H2,1H3,(H,10,12)/t4-/m0/s1
InChIKeyLRJCUOPQZMDZQW-BYPYZUCNSA-N
MW182.14 g/mol
LogP0.96
Rot. Bonds1

About (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

(5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (PubChem CID 89424191) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
PubChem CID89424191
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name(5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESC[C@H]1CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-4-2-10-5(12)11(4)3-6(7,8)9/h4H,2-3H2,1H3,(H,10,12)/t4-/m0/s1
InChIKeyLRJCUOPQZMDZQW-BYPYZUCNSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The IUPAC name of (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (CID 89424191) is (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The canonical SMILES for (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is C[C@H]1CNC(=O)N1CC(F)(F)F.
What is the InChIKey of (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The InChIKey is LRJCUOPQZMDZQW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-4-2-10-5(12)11(4)3-6(7,8)9/h4H,2-3H2,1H3,(H,10,12)/t4-/m0/s1.
What are the key properties of (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
(5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one has a molecular weight of 182.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 89424191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).