2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride

C7H8ClF3N2O3 — CID 90426723

IUPAC2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCN(CCOC(F)(F)F)C1=O
InChIInChI=1S/C7H8ClF3N2O3/c8-5(14)13-2-1-12(6(13)15)3-4-16-7(9,10)11/h1-4H2
InChIKeyQCOLLFXJOYQVAM-UHFFFAOYSA-N
MW260.60 g/mol
LogP1.62
Rot. Bonds3

About 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride

2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride (PubChem CID 90426723) has the molecular formula C7H8ClF3N2O3 and a molecular weight of 260.60 g/mol. Its IUPAC name is 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride
PubChem CID90426723
Molecular FormulaC7H8ClF3N2O3
Molecular Weight260.60 g/mol
Exact Mass260.02
IUPAC Name2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCN(CCOC(F)(F)F)C1=O
InChIInChI=1S/C7H8ClF3N2O3/c8-5(14)13-2-1-12(6(13)15)3-4-16-7(9,10)11/h1-4H2
InChIKeyQCOLLFXJOYQVAM-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.60
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride?
The IUPAC name of 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride (CID 90426723) is 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride.
What is the SMILES notation for 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride?
The canonical SMILES for 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride is O=C(Cl)N1CCN(CCOC(F)(F)F)C1=O.
What is the InChIKey of 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride?
The InChIKey is QCOLLFXJOYQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O3/c8-5(14)13-2-1-12(6(13)15)3-4-16-7(9,10)11/h1-4H2.
What are the key properties of 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride?
2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride has a molecular weight of 260.60 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[2-(trifluoromethoxy)ethyl]imidazolidine-1-carbonyl chloride is sourced from PubChem (CID 90426723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).