2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine

C7H9F7N2O — CID 87123494

IUPAC2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine
SMILESCN1CCN(C(F)(F)C(F)OC(F)(F)F)C1F
InChIInChI=1S/C7H9F7N2O/c1-15-2-3-16(5(15)9)6(10,11)4(8)17-7(12,13)14/h4-5H,2-3H2,1H3
InChIKeyVKSOVGYVWXOZDK-UHFFFAOYSA-N
MW270.15 g/mol
LogP1.91
Rot. Bonds3

About 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine

2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine (PubChem CID 87123494) has the molecular formula C7H9F7N2O and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine
PubChem CID87123494
Molecular FormulaC7H9F7N2O
Molecular Weight270.15 g/mol
Exact Mass270.06
IUPAC Name2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine
SMILESCN1CCN(C(F)(F)C(F)OC(F)(F)F)C1F
InChIInChI=1S/C7H9F7N2O/c1-15-2-3-16(5(15)9)6(10,11)4(8)17-7(12,13)14/h4-5H,2-3H2,1H3
InChIKeyVKSOVGYVWXOZDK-UHFFFAOYSA-N
XLogP1.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine?
The IUPAC name of 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine (CID 87123494) is 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine.
What is the SMILES notation for 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine?
The canonical SMILES for 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine is CN1CCN(C(F)(F)C(F)OC(F)(F)F)C1F.
What is the InChIKey of 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine?
The InChIKey is VKSOVGYVWXOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7N2O/c1-15-2-3-16(5(15)9)6(10,11)4(8)17-7(12,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine?
2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine has a molecular weight of 270.15 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazolidine is sourced from PubChem (CID 87123494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).