2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine

C11H16F8N2O2 — CID 139932663

IUPAC2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine
SMILESCOCCN1CCN(C(C(C)OC(F)(F)F)C(F)(F)F)C1(F)F
InChIInChI=1S/C11H16F8N2O2/c1-7(23-10(15,16)17)8(9(12,13)14)21-4-3-20(5-6-22-2)11(21,18)19/h7-8H,3-6H2,1-2H3
InChIKeyMZBQAGSUKUXRDQ-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.66
Rot. Bonds6

About 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine

2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine (PubChem CID 139932663) has the molecular formula C11H16F8N2O2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine
PubChem CID139932663
Molecular FormulaC11H16F8N2O2
Molecular Weight360.25 g/mol
Exact Mass360.11
IUPAC Name2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine
SMILESCOCCN1CCN(C(C(C)OC(F)(F)F)C(F)(F)F)C1(F)F
InChIInChI=1S/C11H16F8N2O2/c1-7(23-10(15,16)17)8(9(12,13)14)21-4-3-20(5-6-22-2)11(21,18)19/h7-8H,3-6H2,1-2H3
InChIKeyMZBQAGSUKUXRDQ-UHFFFAOYSA-N
XLogP2.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine?
The IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine (CID 139932663) is 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine?
The canonical SMILES for 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine is COCCN1CCN(C(C(C)OC(F)(F)F)C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine?
The InChIKey is MZBQAGSUKUXRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F8N2O2/c1-7(23-10(15,16)17)8(9(12,13)14)21-4-3-20(5-6-22-2)11(21,18)19/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine?
2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine has a molecular weight of 360.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidine is sourced from PubChem (CID 139932663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).