2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine

C9H18F2N2O — CID 139932589

IUPAC2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine
SMILESCCCN1CCN(CCOC)C1(F)F
InChIInChI=1S/C9H18F2N2O/c1-3-4-12-5-6-13(7-8-14-2)9(12,10)11/h3-8H2,1-2H3
InChIKeyVOXZGRKFODGVOY-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.21
Rot. Bonds5

About 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine

2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine (PubChem CID 139932589) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine
PubChem CID139932589
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine
SMILESCCCN1CCN(CCOC)C1(F)F
InChIInChI=1S/C9H18F2N2O/c1-3-4-12-5-6-13(7-8-14-2)9(12,10)11/h3-8H2,1-2H3
InChIKeyVOXZGRKFODGVOY-UHFFFAOYSA-N
XLogP1.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-propylimidazolidine?
The IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine (CID 139932589) is 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine?
The canonical SMILES for 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine is CCCN1CCN(CCOC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine?
The InChIKey is VOXZGRKFODGVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-3-4-12-5-6-13(7-8-14-2)9(12,10)11/h3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine?
2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine has a molecular weight of 208.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methoxyethyl)-3-propylimidazolidine is sourced from PubChem (CID 139932589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).