2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine

C18H36F2N2O2 — CID 139932622

IUPAC2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine
SMILESCOCCN1C(C(C)C)C(C(C)C)(C(C)C)N(CCOC)C1(F)F
InChIInChI=1S/C18H36F2N2O2/c1-13(2)16-17(14(3)4,15(5)6)22(10-12-24-8)18(19,20)21(16)9-11-23-7/h13-16H,9-12H2,1-8H3
InChIKeyHPMLLYAHYLVHAH-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.52
Rot. Bonds9

About 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine

2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine (PubChem CID 139932622) has the molecular formula C18H36F2N2O2 and a molecular weight of 350.49 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine
PubChem CID139932622
Molecular FormulaC18H36F2N2O2
Molecular Weight350.49 g/mol
Exact Mass350.27
IUPAC Name2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine
SMILESCOCCN1C(C(C)C)C(C(C)C)(C(C)C)N(CCOC)C1(F)F
InChIInChI=1S/C18H36F2N2O2/c1-13(2)16-17(14(3)4,15(5)6)22(10-12-24-8)18(19,20)21(16)9-11-23-7/h13-16H,9-12H2,1-8H3
InChIKeyHPMLLYAHYLVHAH-UHFFFAOYSA-N
XLogP3.52
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.52
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-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine (CID 139932622) is 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine is COCCN1C(C(C)C)C(C(C)C)(C(C)C)N(CCOC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine?
The InChIKey is HPMLLYAHYLVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F2N2O2/c1-13(2)16-17(14(3)4,15(5)6)22(10-12-24-8)18(19,20)21(16)9-11-23-7/h13-16H,9-12H2,1-8H3.
What are the key properties of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine?
2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine has a molecular weight of 350.49 g/mol, XLogP of 3.52, 9 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-methoxyethyl)-4,4,5-tri(propan-2-yl)imidazolidine is sourced from PubChem (CID 139932622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).