3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C32H40F6N2O6 — CID 59234962

IUPAC3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C32H40F6N2O6/c1-7-9-22-18-24(30(31(33,34)35,32(36,37)38)45-19-43-6)13-16-26(22)44-17-8-10-21(4)40-27(41)29(5,39-28(40)42)23-11-14-25(15-12-23)46-20(2)3/h11-16,18,20-21H,7-10,17,19H2,1-6H3,(H,39,42)
InChIKeyBZYKCFZPTSZOIH-UHFFFAOYSA-N
MW662.67 g/mol
LogP7.38
Rot. Bonds15

About 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 59234962) has the molecular formula C32H40F6N2O6 and a molecular weight of 662.67 g/mol. Its IUPAC name is 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID59234962
Molecular FormulaC32H40F6N2O6
Molecular Weight662.67 g/mol
Exact Mass662.28
IUPAC Name3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C32H40F6N2O6/c1-7-9-22-18-24(30(31(33,34)35,32(36,37)38)45-19-43-6)13-16-26(22)44-17-8-10-21(4)40-27(41)29(5,39-28(40)42)23-11-14-25(15-12-23)46-20(2)3/h11-16,18,20-21H,7-10,17,19H2,1-6H3,(H,39,42)
InChIKeyBZYKCFZPTSZOIH-UHFFFAOYSA-N
XLogP7.38
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.67
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 59234962) is 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O.
What is the InChIKey of 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is BZYKCFZPTSZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F6N2O6/c1-7-9-22-18-24(30(31(33,34)35,32(36,37)38)45-19-43-6)13-16-26(22)44-17-8-10-21(4)40-27(41)29(5,39-28(40)42)23-11-14-25(15-12-23)46-20(2)3/h11-16,18,20-21H,7-10,17,19H2,1-6H3,(H,39,42).
What are the key properties of 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 662.67 g/mol, XLogP of 7.38, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]pentan-2-yl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59234962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).