2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine

C21H42F2N2O2 — CID 139932598

IUPAC2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine
SMILESCCC(OC)C(CC)N1C(F)(F)N(C(CC)C(CC)OC)C(C)(C)C1(C)C
InChIInChI=1S/C21H42F2N2O2/c1-11-15(17(13-3)26-9)24-19(5,6)20(7,8)25(21(24,22)23)16(12-2)18(14-4)27-10/h15-18H,11-14H2,1-10H3
InChIKeyYNRWUOGDOUDAMJ-UHFFFAOYSA-N
MW392.58 g/mol
LogP5.12
Rot. Bonds10

About 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine

2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine (PubChem CID 139932598) has the molecular formula C21H42F2N2O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine
PubChem CID139932598
Molecular FormulaC21H42F2N2O2
Molecular Weight392.58 g/mol
Exact Mass392.32
IUPAC Name2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine
SMILESCCC(OC)C(CC)N1C(F)(F)N(C(CC)C(CC)OC)C(C)(C)C1(C)C
InChIInChI=1S/C21H42F2N2O2/c1-11-15(17(13-3)26-9)24-19(5,6)20(7,8)25(21(24,22)23)16(12-2)18(14-4)27-10/h15-18H,11-14H2,1-10H3
InChIKeyYNRWUOGDOUDAMJ-UHFFFAOYSA-N
XLogP5.12
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 55.12
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(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine (CID 139932598) is 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine is CCC(OC)C(CC)N1C(F)(F)N(C(CC)C(CC)OC)C(C)(C)C1(C)C.
What is the InChIKey of 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine?
The InChIKey is YNRWUOGDOUDAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42F2N2O2/c1-11-15(17(13-3)26-9)24-19(5,6)20(7,8)25(21(24,22)23)16(12-2)18(14-4)27-10/h15-18H,11-14H2,1-10H3.
What are the key properties of 2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine?
2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine has a molecular weight of 392.58 g/mol, XLogP of 5.12, 10 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(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine is sourced from PubChem (CID 139932598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).