1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one

C11H16F6N2O3 — CID 139925658

IUPAC1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one
SMILESCOCCN1CCN(C(C(C)OC(F)(F)F)C(F)(F)F)C1=O
InChIInChI=1S/C11H16F6N2O3/c1-7(22-11(15,16)17)8(10(12,13)14)19-4-3-18(9(19)20)5-6-21-2/h7-8H,3-6H2,1-2H3
InChIKeyZHNIMLHVGNQCCT-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.23
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one

1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one (PubChem CID 139925658) has the molecular formula C11H16F6N2O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one
PubChem CID139925658
Molecular FormulaC11H16F6N2O3
Molecular Weight338.25 g/mol
Exact Mass338.11
IUPAC Name1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one
SMILESCOCCN1CCN(C(C(C)OC(F)(F)F)C(F)(F)F)C1=O
InChIInChI=1S/C11H16F6N2O3/c1-7(22-11(15,16)17)8(10(12,13)14)19-4-3-18(9(19)20)5-6-21-2/h7-8H,3-6H2,1-2H3
InChIKeyZHNIMLHVGNQCCT-UHFFFAOYSA-N
XLogP2.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one with MolForge

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Related Compounds

3-Cyclopropyl-1-ethyl-4-(2,2,2-trifluoroethoxy)imidazolidin-2-one
CID 60000029
1,3-Bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
CID 139925594
1-(2-Ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 139925602
1,3-Bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925605
4,4,5-Trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925607
4,5-Difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one
CID 139925623
1-(1-Fluoro-3-methoxy-2-methylpropan-2-yl)-3-(2-methoxyethyl)-4-methylimidazolidin-2-one
CID 139925626
4-Iodo-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925637
4-Fluoro-3-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)imidazolidin-2-one
CID 139925648
1-(2-Methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925654
1-(2-Methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one
CID 139925666
4,4-Dibromo-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925668

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one (CID 139925658) is 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one is COCCN1CCN(C(C(C)OC(F)(F)F)C(F)(F)F)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one?
The InChIKey is ZHNIMLHVGNQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O3/c1-7(22-11(15,16)17)8(10(12,13)14)19-4-3-18(9(19)20)5-6-21-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one?
1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one has a molecular weight of 338.25 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one is sourced from PubChem (CID 139925658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).