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

C21H40F2N2O3 — CID 139925682

IUPAC1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one
SMILESCCCC1(CCC)N(C(F)COC)C(=O)N(C(F)COC)C1(CCC)CCC
InChIInChI=1S/C21H40F2N2O3/c1-7-11-20(12-8-2)21(13-9-3,14-10-4)25(18(23)16-28-6)19(26)24(20)17(22)15-27-5/h17-18H,7-16H2,1-6H3
InChIKeyGPQSTOVFWJMZBB-UHFFFAOYSA-N
MW406.56 g/mol
LogP5.29
Rot. Bonds14

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

1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one (PubChem CID 139925682) has the molecular formula C21H40F2N2O3 and a molecular weight of 406.56 g/mol. Its IUPAC name is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one
PubChem CID139925682
Molecular FormulaC21H40F2N2O3
Molecular Weight406.56 g/mol
Exact Mass406.30
IUPAC Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one
SMILESCCCC1(CCC)N(C(F)COC)C(=O)N(C(F)COC)C1(CCC)CCC
InChIInChI=1S/C21H40F2N2O3/c1-7-11-20(12-8-2)21(13-9-3,14-10-4)25(18(23)16-28-6)19(26)24(20)17(22)15-27-5/h17-18H,7-16H2,1-6H3
InChIKeyGPQSTOVFWJMZBB-UHFFFAOYSA-N
XLogP5.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 55.29
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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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one?
The IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one (CID 139925682) is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one.
What is the SMILES notation for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one?
The canonical SMILES for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one is CCCC1(CCC)N(C(F)COC)C(=O)N(C(F)COC)C1(CCC)CCC.
What is the InChIKey of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one?
The InChIKey is GPQSTOVFWJMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40F2N2O3/c1-7-11-20(12-8-2)21(13-9-3,14-10-4)25(18(23)16-28-6)19(26)24(20)17(22)15-27-5/h17-18H,7-16H2,1-6H3.
What are the key properties of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one?
1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one has a molecular weight of 406.56 g/mol, XLogP of 5.29, 14 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)-4,4,5,5-tetrapropylimidazolidin-2-one is sourced from PubChem (CID 139925682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).