3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione

C14H15FN2O3 — CID 154799491

IUPAC3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C2COc3ccc(F)cc3C2)C1=O
InChIInChI=1S/C14H15FN2O3/c1-14(2)12(18)17(13(19)16-14)10-6-8-5-9(15)3-4-11(8)20-7-10/h3-5,10H,6-7H2,1-2H3,(H,16,19)
InChIKeyJIIXSQIQSGUYSP-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.46
Rot. Bonds1

About 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione

3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 154799491) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID154799491
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C2COc3ccc(F)cc3C2)C1=O
InChIInChI=1S/C14H15FN2O3/c1-14(2)12(18)17(13(19)16-14)10-6-8-5-9(15)3-4-11(8)20-7-10/h3-5,10H,6-7H2,1-2H3,(H,16,19)
InChIKeyJIIXSQIQSGUYSP-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione (CID 154799491) is 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C2COc3ccc(F)cc3C2)C1=O.
What is the InChIKey of 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JIIXSQIQSGUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-14(2)12(18)17(13(19)16-14)10-6-8-5-9(15)3-4-11(8)20-7-10/h3-5,10H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione?
3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 278.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 154799491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).