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

C9H16F2N2O3 — CID 139925611

IUPAC1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOCF)CCN1CCOCF
InChIInChI=1S/C9H16F2N2O3/c10-7-15-5-3-12-1-2-13(9(12)14)4-6-16-8-11/h1-8H2
InChIKeySVTLLJXUUJFONK-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.61
Rot. Bonds8

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

1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925611) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
PubChem CID139925611
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOCF)CCN1CCOCF
InChIInChI=1S/C9H16F2N2O3/c10-7-15-5-3-12-1-2-13(9(12)14)4-6-16-8-11/h1-8H2
InChIKeySVTLLJXUUJFONK-UHFFFAOYSA-N
XLogP0.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one (CID 139925611) is 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one is O=C1N(CCOCF)CCN1CCOCF.
What is the InChIKey of 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
The InChIKey is SVTLLJXUUJFONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c10-7-15-5-3-12-1-2-13(9(12)14)4-6-16-8-11/h1-8H2.
What are the key properties of 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one?
1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one has a molecular weight of 238.23 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).