3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione

C19H11F7N2O3 — CID 91727424

IUPAC3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H11F7N2O3/c20-17(21,18(22,23)19(24,25)26)14(30)28-13(29)16(27-15(28)31,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,27,31)
InChIKeySTKHQLZUUJTGBP-UHFFFAOYSA-N
MW448.29 g/mol
LogP3.84
Rot. Bonds4

About 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione

3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 91727424) has the molecular formula C19H11F7N2O3 and a molecular weight of 448.29 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione
PubChem CID91727424
Molecular FormulaC19H11F7N2O3
Molecular Weight448.29 g/mol
Exact Mass448.07
IUPAC Name3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H11F7N2O3/c20-17(21,18(22,23)19(24,25)26)14(30)28-13(29)16(27-15(28)31,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,27,31)
InChIKeySTKHQLZUUJTGBP-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione (CID 91727424) is 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is STKHQLZUUJTGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F7N2O3/c20-17(21,18(22,23)19(24,25)26)14(30)28-13(29)16(27-15(28)31,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,27,31).
What are the key properties of 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione?
3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 448.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 91727424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).