1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione

C8H11F2N3O2 — CID 153438751

IUPAC1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(CN2CCC(F)(F)C2)C(=O)N1
InChIInChI=1S/C8H11F2N3O2/c9-8(10)1-2-12(4-8)5-13-3-6(14)11-7(13)15/h1-5H2,(H,11,14,15)
InChIKeyGHEPCLODWMGAAG-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.16
Rot. Bonds2

About 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione

1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 153438751) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID153438751
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(CN2CCC(F)(F)C2)C(=O)N1
InChIInChI=1S/C8H11F2N3O2/c9-8(10)1-2-12(4-8)5-13-3-6(14)11-7(13)15/h1-5H2,(H,11,14,15)
InChIKeyGHEPCLODWMGAAG-UHFFFAOYSA-N
XLogP-0.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.16
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 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione (CID 153438751) is 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione is O=C1CN(CN2CCC(F)(F)C2)C(=O)N1.
What is the InChIKey of 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is GHEPCLODWMGAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-8(10)1-2-12(4-8)5-13-3-6(14)11-7(13)15/h1-5H2,(H,11,14,15).
What are the key properties of 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione?
1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 219.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluoropyrrolidin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 153438751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).