2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine

C12H24F2N2O2 — CID 139932674

IUPAC2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine
SMILESCCC(OC)C(C)N1CCN(CCOC)C1(F)F
InChIInChI=1S/C12H24F2N2O2/c1-5-11(18-4)10(2)16-7-6-15(8-9-17-3)12(16,13)14/h10-11H,5-9H2,1-4H3
InChIKeyYURGCJOTVZMACO-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.61
Rot. Bonds7

About 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine

2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine (PubChem CID 139932674) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine
PubChem CID139932674
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC Name2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine
SMILESCCC(OC)C(C)N1CCN(CCOC)C1(F)F
InChIInChI=1S/C12H24F2N2O2/c1-5-11(18-4)10(2)16-7-6-15(8-9-17-3)12(16,13)14/h10-11H,5-9H2,1-4H3
InChIKeyYURGCJOTVZMACO-UHFFFAOYSA-N
XLogP1.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.61
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-(3-methoxypentan-2-yl)imidazolidine?
The IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine (CID 139932674) is 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine is CCC(OC)C(C)N1CCN(CCOC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine?
The InChIKey is YURGCJOTVZMACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-5-11(18-4)10(2)16-7-6-15(8-9-17-3)12(16,13)14/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine?
2,2-difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine has a molecular weight of 266.33 g/mol, XLogP of 1.61, 7 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-(3-methoxypentan-2-yl)imidazolidine is sourced from PubChem (CID 139932674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).