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

C6H9F3N2O — CID 130742010

IUPAC1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCN1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c1-10-2-5(12)11(4-10)3-6(7,8)9/h2-4H2,1H3
InChIKeyNHXDMORCNDICNH-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.28
Rot. Bonds1

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

1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 130742010) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID130742010
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCN1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c1-10-2-5(12)11(4-10)3-6(7,8)9/h2-4H2,1H3
InChIKeyNHXDMORCNDICNH-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

3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 126989037
1-(2,2,2-trifluoroethyl)azetidine-2,3-dione
CID 22403778
1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 67080567
1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 166254400
2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 118974319
1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 154795592
3-cyclohexyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 79266293
1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
CID 79516449
1,3-dimethyl-7-(2,2,2-trifluoroethyl)-8,9-dihydropurine-2,6-dione;ethane
CID 145188757
2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one
CID 83136409
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
1-(aminomethyl)-4-methylpiperazin-2-one
CID 115102213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 130742010) is 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CN1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is NHXDMORCNDICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-10-2-5(12)11(4-10)3-6(7,8)9/h2-4H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
1-methyl-3-(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 1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 130742010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).