1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one

C18H34F2N2O3 — CID 139925690

IUPAC1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one
SMILESCCCC1N(C(F)COC)C(=O)N(C(F)COC)C1(CCC)CCC
InChIInChI=1S/C18H34F2N2O3/c1-6-9-14-18(10-7-2,11-8-3)22(16(20)13-25-5)17(23)21(14)15(19)12-24-4/h14-16H,6-13H2,1-5H3
InChIKeyLVIAFRALUBDURQ-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.12
Rot. Bonds12

About 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one

1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one (PubChem CID 139925690) has the molecular formula C18H34F2N2O3 and a molecular weight of 364.48 g/mol. Its IUPAC name is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one
PubChem CID139925690
Molecular FormulaC18H34F2N2O3
Molecular Weight364.48 g/mol
Exact Mass364.25
IUPAC Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one
SMILESCCCC1N(C(F)COC)C(=O)N(C(F)COC)C1(CCC)CCC
InChIInChI=1S/C18H34F2N2O3/c1-6-9-14-18(10-7-2,11-8-3)22(16(20)13-25-5)17(23)21(14)15(19)12-24-4/h14-16H,6-13H2,1-5H3
InChIKeyLVIAFRALUBDURQ-UHFFFAOYSA-N
XLogP4.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.12
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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Related Compounds

1,3-Bis(1-fluoro-2-methoxyethyl)-4,5-dipropylimidazolidin-2-one
CID 139925592
1,3-Bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one
CID 139925617
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4-di(propan-2-yl)imidazolidin-2-one
CID 139925632
4,4-Difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one
CID 139925638
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one
CID 139925682
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one
CID 139925686
4,5-Diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one
CID 139925693
1,3-Bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one
CID 139925698
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one
CID 139925736
2,2-Difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidine
CID 139932609
2,2-Difluoro-1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidine
CID 139932632
2,2-Difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine
CID 139932641

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
The IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one (CID 139925690) is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one.
What is the SMILES notation for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
The canonical SMILES for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one is CCCC1N(C(F)COC)C(=O)N(C(F)COC)C1(CCC)CCC.
What is the InChIKey of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
The InChIKey is LVIAFRALUBDURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N2O3/c1-6-9-14-18(10-7-2,11-8-3)22(16(20)13-25-5)17(23)21(14)15(19)12-24-4/h14-16H,6-13H2,1-5H3.
What are the key properties of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one has a molecular weight of 364.48 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one is sourced from PubChem (CID 139925690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).