3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

C12H12F2N2O3 — CID 146076170

IUPAC3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOCC1(C)NC(=O)N(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C12H12F2N2O3/c1-12(6-19-2)10(17)16(11(18)15-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyYJTJPYNXOVCUBQ-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.43
Rot. Bonds3

About 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 146076170) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
PubChem CID146076170
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOCC1(C)NC(=O)N(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C12H12F2N2O3/c1-12(6-19-2)10(17)16(11(18)15-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyYJTJPYNXOVCUBQ-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.43
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-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (CID 146076170) is 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is COCC1(C)NC(=O)N(c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is YJTJPYNXOVCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c1-12(6-19-2)10(17)16(11(18)15-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3,(H,15,18).
What are the key properties of 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 270.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 146076170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).