3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione

C24H32F6N2O5 — CID 24991074

About 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 24991074) has the molecular formula C24H32F6N2O5 and a molecular weight of 542.52 g/mol. Its IUPAC name is 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
• PubChem CID: 24991074
• Molecular Formula: C24H32F6N2O5
• Molecular Weight: 542.52 g/mol
• Exact Mass: 542.22
• IUPAC Name: 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
• SMILES: CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O
• InChI: InChI=1S/C24H32F6N2O5/c1-6-9-16-14-17(22(23(25,26)27,24(28,29)30)37-15-35-5)10-11-18(16)36-13-8-7-12-32-19(33)21(2,3)31(4)20(32)34/h10-11,14H,6-9,12-13,15H2,1-5H3
• InChIKey: RETAMLJKTZACCE-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 68.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.52
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 24991074) is 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione is CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O.

What is the InChIKey of 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?

The InChIKey is RETAMLJKTZACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F6N2O5/c1-6-9-16-14-17(22(23(25,26)27,24(28,29)30)37-15-35-5)10-11-18(16)36-13-8-7-12-32-19(33)21(2,3)31(4)20(32)34/h10-11,14H,6-9,12-13,15H2,1-5H3.

What are the key properties of 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?

3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 542.52 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 24991074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).