4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one

C9H15F3N2O3 — CID 139925607

IUPAC4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)(F)C1F
InChIInChI=1S/C9H15F3N2O3/c1-16-5-3-13-7(10)9(11,12)14(8(13)15)4-6-17-2/h7H,3-6H2,1-2H3
InChIKeyWOVBHYJHSYZCRF-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.91
Rot. Bonds6

About 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one

4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925607) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925607
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)(F)C1F
InChIInChI=1S/C9H15F3N2O3/c1-16-5-3-13-7(10)9(11,12)14(8(13)15)4-6-17-2/h7H,3-6H2,1-2H3
InChIKeyWOVBHYJHSYZCRF-UHFFFAOYSA-N
XLogP0.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Cyclopropyl-1-ethyl-4-(2,2,2-trifluoroethoxy)imidazolidin-2-one
CID 60000029
2-Fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine
CID 87123494
2-Oxo-3-(2-(trifluoromethoxy)ethyl)imidazolidine-1-carbonyl chloride
CID 90426723
1-(2-(Trifluoromethoxy)ethyl)imidazolidin-2-one
CID 90427329
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
1,3-Bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
CID 139925611
5-Chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925619
4,5-Difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one
CID 139925623
4,5-Dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925644
4-Fluoro-3-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)imidazolidin-2-one
CID 139925648
4-Fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925650

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925607) is 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1C(=O)N(CCOC)C(F)(F)C1F.
What is the InChIKey of 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is WOVBHYJHSYZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-16-5-3-13-7(10)9(11,12)14(8(13)15)4-6-17-2/h7H,3-6H2,1-2H3.
What are the key properties of 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 256.22 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).