1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione

C8H8F2N2O3 — CID 86794482

IUPAC1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(F)F)C1=O
InChIInChI=1S/C8H8F2N2O3/c1-2-3-11-6(13)7(14)12(8(11)15)4-5(9)10/h2,5H,1,3-4H2
InChIKeyZNBYKTCPBXDXSD-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.23
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione

1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione (PubChem CID 86794482) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
PubChem CID86794482
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(F)F)C1=O
InChIInChI=1S/C8H8F2N2O3/c1-2-3-11-6(13)7(14)12(8(11)15)4-5(9)10/h2,5H,1,3-4H2
InChIKeyZNBYKTCPBXDXSD-UHFFFAOYSA-N
XLogP0.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione (CID 86794482) is 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione is C=CCN1C(=O)C(=O)N(CC(F)F)C1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
The InChIKey is ZNBYKTCPBXDXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-2-3-11-6(13)7(14)12(8(11)15)4-5(9)10/h2,5H,1,3-4H2.
What are the key properties of 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione?
1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione has a molecular weight of 218.16 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione is sourced from PubChem (CID 86794482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).