5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione

C30H34F6N2O6 — CID 59235153

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(CC)(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C30H34F6N2O6/c1-4-7-19-16-21(28(41,29(31,32)33)30(34,35)36)10-11-22(19)42-13-6-8-18(3)38-25(39)27(5-2,37-26(38)40)20-9-12-23-24(17-20)44-15-14-43-23/h9-12,16-18,41H,4-8,13-15H2,1-3H3,(H,37,40)
InChIKeyFBCDXXSCJASDDG-UHFFFAOYSA-N
MW632.60 g/mol
LogP6.13
Rot. Bonds11

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione (PubChem CID 59235153) has the molecular formula C30H34F6N2O6 and a molecular weight of 632.60 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione
PubChem CID59235153
Molecular FormulaC30H34F6N2O6
Molecular Weight632.60 g/mol
Exact Mass632.23
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(CC)(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C30H34F6N2O6/c1-4-7-19-16-21(28(41,29(31,32)33)30(34,35)36)10-11-22(19)42-13-6-8-18(3)38-25(39)27(5-2,37-26(38)40)20-9-12-23-24(17-20)44-15-14-43-23/h9-12,16-18,41H,4-8,13-15H2,1-3H3,(H,37,40)
InChIKeyFBCDXXSCJASDDG-UHFFFAOYSA-N
XLogP6.13
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.60
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione (CID 59235153) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(CC)(c2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione?
The InChIKey is FBCDXXSCJASDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F6N2O6/c1-4-7-19-16-21(28(41,29(31,32)33)30(34,35)36)10-11-22(19)42-13-6-8-18(3)38-25(39)27(5-2,37-26(38)40)20-9-12-23-24(17-20)44-15-14-43-23/h9-12,16-18,41H,4-8,13-15H2,1-3H3,(H,37,40).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione has a molecular weight of 632.60 g/mol, XLogP of 6.13, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]pentan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 59235153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).