4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one

C9H14F4N2O3 — CID 139925680

IUPAC4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one
SMILESCOCC(F)N1CC(F)(F)N(C(F)COC)C1=O
InChIInChI=1S/C9H14F4N2O3/c1-17-3-6(10)14-5-9(12,13)15(8(14)16)7(11)4-18-2/h6-7H,3-5H2,1-2H3
InChIKeyXNSOKSLRKGHELK-UHFFFAOYSA-N
MW274.21 g/mol
LogP1.20
Rot. Bonds6

About 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one

4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925680) has the molecular formula C9H14F4N2O3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one
PubChem CID139925680
Molecular FormulaC9H14F4N2O3
Molecular Weight274.21 g/mol
Exact Mass274.09
IUPAC Name4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one
SMILESCOCC(F)N1CC(F)(F)N(C(F)COC)C1=O
InChIInChI=1S/C9H14F4N2O3/c1-17-3-6(10)14-5-9(12,13)15(8(14)16)7(11)4-18-2/h6-7H,3-5H2,1-2H3
InChIKeyXNSOKSLRKGHELK-UHFFFAOYSA-N
XLogP1.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 51.20
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

1-Methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione
CID 99826315
2-Fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine
CID 87123494
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
5-Chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925619
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
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

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one (CID 139925680) is 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one is COCC(F)N1CC(F)(F)N(C(F)COC)C1=O.
What is the InChIKey of 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one?
The InChIKey is XNSOKSLRKGHELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O3/c1-17-3-6(10)14-5-9(12,13)15(8(14)16)7(11)4-18-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one?
4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one has a molecular weight of 274.21 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).