1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine

C9H14F6N2O2 — CID 139932665

IUPAC1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine
SMILESFC(F)OCCN1CCN(CCOC(F)F)C1(F)F
InChIInChI=1S/C9H14F6N2O2/c10-7(11)18-5-3-16-1-2-17(9(16,14)15)4-6-19-8(12)13/h7-8H,1-6H2
InChIKeyYSJTVTKUCRJOBL-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.63
Rot. Bonds8

About 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine

1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine (PubChem CID 139932665) has the molecular formula C9H14F6N2O2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine.

Molecular Properties

Compound Name1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine
PubChem CID139932665
Molecular FormulaC9H14F6N2O2
Molecular Weight296.21 g/mol
Exact Mass296.10
IUPAC Name1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine
SMILESFC(F)OCCN1CCN(CCOC(F)F)C1(F)F
InChIInChI=1S/C9H14F6N2O2/c10-7(11)18-5-3-16-1-2-17(9(16,14)15)4-6-19-8(12)13/h7-8H,1-6H2
InChIKeyYSJTVTKUCRJOBL-UHFFFAOYSA-N
XLogP1.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.63
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 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine?
The IUPAC name of 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine (CID 139932665) is 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine.
What is the SMILES notation for 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine?
The canonical SMILES for 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine is FC(F)OCCN1CCN(CCOC(F)F)C1(F)F.
What is the InChIKey of 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine?
The InChIKey is YSJTVTKUCRJOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6N2O2/c10-7(11)18-5-3-16-1-2-17(9(16,14)15)4-6-19-8(12)13/h7-8H,1-6H2.
What are the key properties of 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine?
1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine has a molecular weight of 296.21 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(difluoromethoxy)ethyl]-2,2-difluoroimidazolidine is sourced from PubChem (CID 139932665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).