3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione

C25H26F6N2O4 — CID 59201032

IUPAC3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)N(C)C(C)(C)C2=O)c1
InChIInChI=1S/C25H26F6N2O4/c1-5-7-16-13-17(23(36,24(26,27)28)25(29,30)31)10-11-19(16)37-18-9-6-8-15(12-18)14-33-20(34)22(2,3)32(4)21(33)35/h6,8-13,36H,5,7,14H2,1-4H3
InChIKeyVEHBMINZXAOPJO-UHFFFAOYSA-N
MW532.48 g/mol
LogP5.92
Rot. Bonds7

About 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 59201032) has the molecular formula C25H26F6N2O4 and a molecular weight of 532.48 g/mol. Its IUPAC name is 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID59201032
Molecular FormulaC25H26F6N2O4
Molecular Weight532.48 g/mol
Exact Mass532.18
IUPAC Name3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)N(C)C(C)(C)C2=O)c1
InChIInChI=1S/C25H26F6N2O4/c1-5-7-16-13-17(23(36,24(26,27)28)25(29,30)31)10-11-19(16)37-18-9-6-8-15(12-18)14-33-20(34)22(2,3)32(4)21(33)35/h6,8-13,36H,5,7,14H2,1-4H3
InChIKeyVEHBMINZXAOPJO-UHFFFAOYSA-N
XLogP5.92
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.48
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 59201032) is 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)N(C)C(C)(C)C2=O)c1.
What is the InChIKey of 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is VEHBMINZXAOPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N2O4/c1-5-7-16-13-17(23(36,24(26,27)28)25(29,30)31)10-11-19(16)37-18-9-6-8-15(12-18)14-33-20(34)22(2,3)32(4)21(33)35/h6,8-13,36H,5,7,14H2,1-4H3.
What are the key properties of 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 532.48 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59201032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).