4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine

C19H38F2N2O2 — CID 139932728

IUPAC4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine
SMILESCCCC(C(C)OC)N1CC(CC)N(C(CCC)C(C)OC)C1(F)F
InChIInChI=1S/C19H38F2N2O2/c1-8-11-17(14(4)24-6)22-13-16(10-3)23(19(22,20)21)18(12-9-2)15(5)25-7/h14-18H,8-13H2,1-7H3
InChIKeyKGIRETCVEQMORT-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.34
Rot. Bonds11

About 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine

4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine (PubChem CID 139932728) has the molecular formula C19H38F2N2O2 and a molecular weight of 364.52 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine
PubChem CID139932728
Molecular FormulaC19H38F2N2O2
Molecular Weight364.52 g/mol
Exact Mass364.29
IUPAC Name4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine
SMILESCCCC(C(C)OC)N1CC(CC)N(C(CCC)C(C)OC)C1(F)F
InChIInChI=1S/C19H38F2N2O2/c1-8-11-17(14(4)24-6)22-13-16(10-3)23(19(22,20)21)18(12-9-2)15(5)25-7/h14-18H,8-13H2,1-7H3
InChIKeyKGIRETCVEQMORT-UHFFFAOYSA-N
XLogP4.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.34
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-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine?
The IUPAC name of 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine (CID 139932728) is 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine.
What is the SMILES notation for 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine?
The canonical SMILES for 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine is CCCC(C(C)OC)N1CC(CC)N(C(CCC)C(C)OC)C1(F)F.
What is the InChIKey of 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine?
The InChIKey is KGIRETCVEQMORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38F2N2O2/c1-8-11-17(14(4)24-6)22-13-16(10-3)23(19(22,20)21)18(12-9-2)15(5)25-7/h14-18H,8-13H2,1-7H3.
What are the key properties of 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine?
4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine has a molecular weight of 364.52 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine is sourced from PubChem (CID 139932728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).