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

C15H24F8N2O2 — CID 139932604

IUPAC2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine
SMILESCCC(CN1CC(C(F)(F)F)(C(F)(F)F)N(CC(CC)OC)C1(F)F)OC
InChIInChI=1S/C15H24F8N2O2/c1-5-10(26-3)7-24-9-12(13(16,17)18,14(19,20)21)25(15(24,22)23)8-11(6-2)27-4/h10-11H,5-9H2,1-4H3
InChIKeyXPNRGSZSKOSDAI-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.87
Rot. Bonds8

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

2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine (PubChem CID 139932604) has the molecular formula C15H24F8N2O2 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine
PubChem CID139932604
Molecular FormulaC15H24F8N2O2
Molecular Weight416.35 g/mol
Exact Mass416.17
IUPAC Name2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine
SMILESCCC(CN1CC(C(F)(F)F)(C(F)(F)F)N(CC(CC)OC)C1(F)F)OC
InChIInChI=1S/C15H24F8N2O2/c1-5-10(26-3)7-24-9-12(13(16,17)18,14(19,20)21)25(15(24,22)23)8-11(6-2)27-4/h10-11H,5-9H2,1-4H3
InChIKeyXPNRGSZSKOSDAI-UHFFFAOYSA-N
XLogP3.87
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.87
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-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine (CID 139932604) is 2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine is CCC(CN1CC(C(F)(F)F)(C(F)(F)F)N(CC(CC)OC)C1(F)F)OC.
What is the InChIKey of 2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine?
The InChIKey is XPNRGSZSKOSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F8N2O2/c1-5-10(26-3)7-24-9-12(13(16,17)18,14(19,20)21)25(15(24,22)23)8-11(6-2)27-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine?
2,2-difluoro-1,3-bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine has a molecular weight of 416.35 g/mol, XLogP of 3.87, 8 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-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidine is sourced from PubChem (CID 139932604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).