4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one

C9H15F3N2O3 — CID 139925737

IUPAC4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOCF)CC(F)N1CCOCF
InChIInChI=1S/C9H15F3N2O3/c10-6-16-3-1-13-5-8(12)14(9(13)15)2-4-17-7-11/h8H,1-7H2
InChIKeyFDWNXUWKBIOAPS-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.91
Rot. Bonds8

About 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one

4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925737) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
PubChem CID139925737
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOCF)CC(F)N1CCOCF
InChIInChI=1S/C9H15F3N2O3/c10-6-16-3-1-13-5-8(12)14(9(13)15)2-4-17-7-11/h8H,1-7H2
InChIKeyFDWNXUWKBIOAPS-UHFFFAOYSA-N
XLogP0.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', '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-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one (CID 139925737) is 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one is O=C1N(CCOCF)CC(F)N1CCOCF.
What is the InChIKey of 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
The InChIKey is FDWNXUWKBIOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-6-16-3-1-13-5-8(12)14(9(13)15)2-4-17-7-11/h8H,1-7H2.
What are the key properties of 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one has a molecular weight of 256.22 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).