3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione

C14H17FN2O3 — CID 134156788

IUPAC3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CCOc2ccc(F)cc2)C(=O)C1(C)C
InChIInChI=1S/C14H17FN2O3/c1-14(2)12(18)17(13(19)16(14)3)8-9-20-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3
InChIKeyUEOBOIGCNJZEHJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.88
Rot. Bonds4

About 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 134156788) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID134156788
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CCOc2ccc(F)cc2)C(=O)C1(C)C
InChIInChI=1S/C14H17FN2O3/c1-14(2)12(18)17(13(19)16(14)3)8-9-20-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3
InChIKeyUEOBOIGCNJZEHJ-UHFFFAOYSA-N
XLogP1.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 134156788) is 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione is CN1C(=O)N(CCOc2ccc(F)cc2)C(=O)C1(C)C.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is UEOBOIGCNJZEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2)12(18)17(13(19)16(14)3)8-9-20-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 280.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 134156788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).