5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione

C32H38F6N2O4 — CID 59235071

About 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59235071) has the molecular formula C32H38F6N2O4 and a molecular weight of 628.65 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 59235071
• Molecular Formula: C32H38F6N2O4
• Molecular Weight: 628.65 g/mol
• Exact Mass: 628.27
• IUPAC Name: 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O
• InChI: InChI=1S/C32H38F6N2O4/c1-4-9-22-18-25(30(43,31(33,34)35)32(36,37)38)19-23(10-5-2)26(22)44-16-7-6-15-40-27(41)29(3,39-28(40)42)24-14-13-20-11-8-12-21(20)17-24/h13-14,17-19,43H,4-12,15-16H2,1-3H3,(H,39,42)
• InChIKey: VPYZETRVNYIBKD-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.65
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	2
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-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione (CID 59235071) is 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O.

What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is VPYZETRVNYIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F6N2O4/c1-4-9-22-18-25(30(43,31(33,34)35)32(36,37)38)19-23(10-5-2)26(22)44-16-7-6-15-40-27(41)29(3,39-28(40)42)24-14-13-20-11-8-12-21(20)17-24/h13-14,17-19,43H,4-12,15-16H2,1-3H3,(H,39,42).

What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?

5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 628.65 g/mol, XLogP of 7.02, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1H-inden-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59235071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).