3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione

C25H34F6N2O4 — CID 59235012

IUPAC3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C25H34F6N2O4/c1-6-10-16-14-18(23(36,24(26,27)28)25(29,30)31)15-17(11-7-2)19(16)37-13-9-8-12-33-20(34)22(3,4)32(5)21(33)35/h14-15,36H,6-13H2,1-5H3
InChIKeyVCQICRASEKZXNI-UHFFFAOYSA-N
MW540.55 g/mol
LogP5.74
Rot. Bonds11

About 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 59235012) has the molecular formula C25H34F6N2O4 and a molecular weight of 540.55 g/mol. Its IUPAC name is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID59235012
Molecular FormulaC25H34F6N2O4
Molecular Weight540.55 g/mol
Exact Mass540.24
IUPAC Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C25H34F6N2O4/c1-6-10-16-14-18(23(36,24(26,27)28)25(29,30)31)15-17(11-7-2)19(16)37-13-9-8-12-33-20(34)22(3,4)32(5)21(33)35/h14-15,36H,6-13H2,1-5H3
InChIKeyVCQICRASEKZXNI-UHFFFAOYSA-N
XLogP5.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.55
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 59235012) is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O.
What is the InChIKey of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is VCQICRASEKZXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F6N2O4/c1-6-10-16-14-18(23(36,24(26,27)28)25(29,30)31)15-17(11-7-2)19(16)37-13-9-8-12-33-20(34)22(3,4)32(5)21(33)35/h14-15,36H,6-13H2,1-5H3.
What are the key properties of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 540.55 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59235012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).