3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one

C6H9F3N2O — CID 126989037

IUPAC3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCN1CN(CC(F)(F)F)CC1=O
InChIInChI=1S/C6H9F3N2O/c1-10-4-11(2-5(10)12)3-6(7,8)9/h2-4H2,1H3
InChIKeyMMPITZQIAFPCPK-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.28
Rot. Bonds1

About 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one

3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 126989037) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID126989037
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCN1CN(CC(F)(F)F)CC1=O
InChIInChI=1S/C6H9F3N2O/c1-10-4-11(2-5(10)12)3-6(7,8)9/h2-4H2,1H3
InChIKeyMMPITZQIAFPCPK-UHFFFAOYSA-N
XLogP0.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
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1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
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3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one
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3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 127002211
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 126989037) is 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one is CN1CN(CC(F)(F)F)CC1=O.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is MMPITZQIAFPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-10-4-11(2-5(10)12)3-6(7,8)9/h2-4H2,1H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one?
3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 182.14 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 126989037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).