1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one

C11H16F6N2O3 — CID 139925683

IUPAC1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOCC(F)(F)F)CCN1CCOCC(F)(F)F
InChIInChI=1S/C11H16F6N2O3/c12-10(13,14)7-21-5-3-18-1-2-19(9(18)20)4-6-22-8-11(15,16)17/h1-8H2
InChIKeyNFQYFEKRNGPTIH-UHFFFAOYSA-N
MW338.25 g/mol
LogP1.88
Rot. Bonds8

About 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one

1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925683) has the molecular formula C11H16F6N2O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one
PubChem CID139925683
Molecular FormulaC11H16F6N2O3
Molecular Weight338.25 g/mol
Exact Mass338.11
IUPAC Name1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOCC(F)(F)F)CCN1CCOCC(F)(F)F
InChIInChI=1S/C11H16F6N2O3/c12-10(13,14)7-21-5-3-18-1-2-19(9(18)20)4-6-22-8-11(15,16)17/h1-8H2
InChIKeyNFQYFEKRNGPTIH-UHFFFAOYSA-N
XLogP1.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-Bis[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
CID 139925594
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
1,3-Bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
CID 139925611
1-(2-Methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925654
1-(2-Methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one
CID 139925658
4-Fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925660
4-Methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925670
4,4-Difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one
CID 139925680
1,3-Bis[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
CID 139925692
1-[2-(Difluoromethoxy)ethyl]-3-[2-[2-(fluoromethoxy)ethoxy]ethyl]imidazolidin-2-one
CID 139925694
1,3-Bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one
CID 139925701

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one (CID 139925683) is 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one is O=C1N(CCOCC(F)(F)F)CCN1CCOCC(F)(F)F.
What is the InChIKey of 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one?
The InChIKey is NFQYFEKRNGPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O3/c12-10(13,14)7-21-5-3-18-1-2-19(9(18)20)4-6-22-8-11(15,16)17/h1-8H2.
What are the key properties of 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one?
1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one has a molecular weight of 338.25 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).