3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

C13H14F2N2O2S — CID 35363250

IUPAC3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2ccc(F)cc2F)C1=O
InChIInChI=1S/C13H14F2N2O2S/c1-13(2)11(18)17(12(19)16-13)5-6-20-10-4-3-8(14)7-9(10)15/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyVFZWYDONLAVCHN-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.39
Rot. Bonds4

About 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 35363250) has the molecular formula C13H14F2N2O2S and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID35363250
Molecular FormulaC13H14F2N2O2S
Molecular Weight300.33 g/mol
Exact Mass300.07
IUPAC Name3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2ccc(F)cc2F)C1=O
InChIInChI=1S/C13H14F2N2O2S/c1-13(2)11(18)17(12(19)16-13)5-6-20-10-4-3-8(14)7-9(10)15/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyVFZWYDONLAVCHN-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.39
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-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 35363250) is 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCSc2ccc(F)cc2F)C1=O.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VFZWYDONLAVCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S/c1-13(2)11(18)17(12(19)16-13)5-6-20-10-4-3-8(14)7-9(10)15/h3-4,7H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 300.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 35363250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).