5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione

C24H32F6N2O4 — CID 59235172

About 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione

5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 59235172) has the molecular formula C24H32F6N2O4 and a molecular weight of 526.52 g/mol. Its IUPAC name is 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 59235172
• Molecular Formula: C24H32F6N2O4
• Molecular Weight: 526.52 g/mol
• Exact Mass: 526.23
• IUPAC Name: 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione
• SMILES: CCCc1cc(C(OC)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(CC)C1=O
• InChI: InChI=1S/C24H32F6N2O4/c1-6-10-16-15-17(22(35-5,23(25,26)27)24(28,29)30)11-12-18(16)36-14-9-8-13-32-19(33)21(3,7-2)31(4)20(32)34/h11-12,15H,6-10,13-14H2,1-5H3
• InChIKey: SMWNQIWFIXETES-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.52
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione (CID 59235172) is 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione is CCCc1cc(C(OC)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(CC)C1=O.

What is the InChIKey of 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione?

The InChIKey is SMWNQIWFIXETES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F6N2O4/c1-6-10-16-15-17(22(35-5,23(25,26)27)24(28,29)30)11-12-18(16)36-14-9-8-13-32-19(33)21(3,7-2)31(4)20(32)34/h11-12,15H,6-10,13-14H2,1-5H3.

What are the key properties of 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione?

5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 526.52 g/mol, XLogP of 5.83, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-propylphenoxy]butyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).