1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one

C9H12F5IN2O3 — CID 139925729

IUPAC1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one
SMILESCOCC(F)(F)N1C(=O)N(C(F)(F)COC)C(I)C1F
InChIInChI=1S/C9H12F5IN2O3/c1-19-3-8(11,12)16-5(10)6(15)17(7(16)18)9(13,14)4-20-2/h5-6H,3-4H2,1-2H3
InChIKeyKJNMEOWCJRDTBK-UHFFFAOYSA-N
MW418.10 g/mol
LogP2.26
Rot. Bonds6

About 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one

1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one (PubChem CID 139925729) has the molecular formula C9H12F5IN2O3 and a molecular weight of 418.10 g/mol. Its IUPAC name is 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one
PubChem CID139925729
Molecular FormulaC9H12F5IN2O3
Molecular Weight418.10 g/mol
Exact Mass417.98
IUPAC Name1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one
SMILESCOCC(F)(F)N1C(=O)N(C(F)(F)COC)C(I)C1F
InChIInChI=1S/C9H12F5IN2O3/c1-19-3-8(11,12)16-5(10)6(15)17(7(16)18)9(13,14)4-20-2/h5-6H,3-4H2,1-2H3
InChIKeyKJNMEOWCJRDTBK-UHFFFAOYSA-N
XLogP2.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.10
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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
4-Iodo-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925637
4-Fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925650
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-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one
CID 139925683
1,3-Bis[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
CID 139925692
1,3-Bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one
CID 139925701

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one?
The IUPAC name of 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one (CID 139925729) is 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one.
What is the SMILES notation for 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one?
The canonical SMILES for 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one is COCC(F)(F)N1C(=O)N(C(F)(F)COC)C(I)C1F.
What is the InChIKey of 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one?
The InChIKey is KJNMEOWCJRDTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5IN2O3/c1-19-3-8(11,12)16-5(10)6(15)17(7(16)18)9(13,14)4-20-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one?
1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one has a molecular weight of 418.10 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,1-difluoro-2-methoxyethyl)-4-fluoro-5-iodoimidazolidin-2-one is sourced from PubChem (CID 139925729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).