4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine

C17H34F2N2O2 — CID 139932623

IUPAC4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine
SMILESCCC(CN1C(CC)C(CC)N(CC(CC)OC)C1(F)F)OC
InChIInChI=1S/C17H34F2N2O2/c1-7-13(22-5)11-20-15(9-3)16(10-4)21(17(20,18)19)12-14(8-2)23-6/h13-16H,7-12H2,1-6H3
InChIKeyKIMVQPJTVCYPQB-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.56
Rot. Bonds10

About 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine

4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine (PubChem CID 139932623) has the molecular formula C17H34F2N2O2 and a molecular weight of 336.47 g/mol. Its IUPAC name is 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine.

Molecular Properties

Compound Name4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine
PubChem CID139932623
Molecular FormulaC17H34F2N2O2
Molecular Weight336.47 g/mol
Exact Mass336.26
IUPAC Name4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine
SMILESCCC(CN1C(CC)C(CC)N(CC(CC)OC)C1(F)F)OC
InChIInChI=1S/C17H34F2N2O2/c1-7-13(22-5)11-20-15(9-3)16(10-4)21(17(20,18)19)12-14(8-2)23-6/h13-16H,7-12H2,1-6H3
InChIKeyKIMVQPJTVCYPQB-UHFFFAOYSA-N
XLogP3.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.56
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 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine?
The IUPAC name of 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine (CID 139932623) is 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine.
What is the SMILES notation for 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine?
The canonical SMILES for 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine is CCC(CN1C(CC)C(CC)N(CC(CC)OC)C1(F)F)OC.
What is the InChIKey of 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine?
The InChIKey is KIMVQPJTVCYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F2N2O2/c1-7-13(22-5)11-20-15(9-3)16(10-4)21(17(20,18)19)12-14(8-2)23-6/h13-16H,7-12H2,1-6H3.
What are the key properties of 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine?
4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine has a molecular weight of 336.47 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine is sourced from PubChem (CID 139932623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).