2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine

C13H26F2N2O2 — CID 139932658

IUPAC2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine
SMILESCOC(C)CN1C(C)C(C)N(CC(C)OC)C1(F)F
InChIInChI=1S/C13H26F2N2O2/c1-9(18-5)7-16-11(3)12(4)17(13(16,14)15)8-10(2)19-6/h9-12H,7-8H2,1-6H3
InChIKeyPKZYYAMBWYJUSV-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.00
Rot. Bonds6

About 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine

2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine (PubChem CID 139932658) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine
PubChem CID139932658
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC Name2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine
SMILESCOC(C)CN1C(C)C(C)N(CC(C)OC)C1(F)F
InChIInChI=1S/C13H26F2N2O2/c1-9(18-5)7-16-11(3)12(4)17(13(16,14)15)8-10(2)19-6/h9-12H,7-8H2,1-6H3
InChIKeyPKZYYAMBWYJUSV-UHFFFAOYSA-N
XLogP2.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.00
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-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine (CID 139932658) is 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine is COC(C)CN1C(C)C(C)N(CC(C)OC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine?
The InChIKey is PKZYYAMBWYJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2/c1-9(18-5)7-16-11(3)12(4)17(13(16,14)15)8-10(2)19-6/h9-12H,7-8H2,1-6H3.
What are the key properties of 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine?
2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine has a molecular weight of 280.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,5-dimethylimidazolidine is sourced from PubChem (CID 139932658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).