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

C9H16FIN2O3 — CID 139925650

IUPAC4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(I)C1F
InChIInChI=1S/C9H16FIN2O3/c1-15-5-3-12-7(10)8(11)13(9(12)14)4-6-16-2/h7-8H,3-6H2,1-2H3
InChIKeyJBFMTCACLPGDAR-UHFFFAOYSA-N
MW346.14 g/mol
LogP1.07
Rot. Bonds6

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

4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925650) has the molecular formula C9H16FIN2O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925650
Molecular FormulaC9H16FIN2O3
Molecular Weight346.14 g/mol
Exact Mass346.02
IUPAC Name4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(I)C1F
InChIInChI=1S/C9H16FIN2O3/c1-15-5-3-12-7(10)8(11)13(9(12)14)4-6-16-2/h7-8H,3-6H2,1-2H3
InChIKeyJBFMTCACLPGDAR-UHFFFAOYSA-N
XLogP1.07
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925650) is 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1C(=O)N(CCOC)C(I)C1F.
What is the InChIKey of 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is JBFMTCACLPGDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FIN2O3/c1-15-5-3-12-7(10)8(11)13(9(12)14)4-6-16-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 346.14 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).