2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine

C17H34F2N2O2 — CID 139932747

IUPAC2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine
SMILESCOCCN1CCN(C(C)(C(C)C)C(C)(OC)C(C)C)C1(F)F
InChIInChI=1S/C17H34F2N2O2/c1-13(2)15(5,16(6,23-8)14(3)4)21-10-9-20(11-12-22-7)17(21,18)19/h13-14H,9-12H2,1-8H3
InChIKeyZPIKGWHDOJQXJD-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.28
Rot. Bonds8

About 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine

2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine (PubChem CID 139932747) has the molecular formula C17H34F2N2O2 and a molecular weight of 336.47 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine
PubChem CID139932747
Molecular FormulaC17H34F2N2O2
Molecular Weight336.47 g/mol
Exact Mass336.26
IUPAC Name2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine
SMILESCOCCN1CCN(C(C)(C(C)C)C(C)(OC)C(C)C)C1(F)F
InChIInChI=1S/C17H34F2N2O2/c1-13(2)15(5,16(6,23-8)14(3)4)21-10-9-20(11-12-22-7)17(21,18)19/h13-14H,9-12H2,1-8H3
InChIKeyZPIKGWHDOJQXJD-UHFFFAOYSA-N
XLogP3.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.28
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-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine?
The IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine (CID 139932747) is 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine is COCCN1CCN(C(C)(C(C)C)C(C)(OC)C(C)C)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine?
The InChIKey is ZPIKGWHDOJQXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F2N2O2/c1-13(2)15(5,16(6,23-8)14(3)4)21-10-9-20(11-12-22-7)17(21,18)19/h13-14H,9-12H2,1-8H3.
What are the key properties of 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine?
2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine has a molecular weight of 336.47 g/mol, XLogP of 3.28, 8 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-(4-methoxy-2,3,4,5-tetramethylhexan-3-yl)imidazolidine is sourced from PubChem (CID 139932747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).