1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione

C9H11F5N2O3 — CID 99826315

IUPAC1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCOCC(F)(F)C(F)(F)F)C1=O
InChIInChI=1S/C9H11F5N2O3/c1-15-4-6(17)16(7(15)18)2-3-19-5-8(10,11)9(12,13)14/h2-5H2,1H3
InChIKeyQEDJAWKXIFKAPH-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.09
Rot. Bonds5

About 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione

1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 99826315) has the molecular formula C9H11F5N2O3 and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione
PubChem CID99826315
Molecular FormulaC9H11F5N2O3
Molecular Weight290.19 g/mol
Exact Mass290.07
IUPAC Name1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCOCC(F)(F)C(F)(F)F)C1=O
InChIInChI=1S/C9H11F5N2O3/c1-15-4-6(17)16(7(15)18)2-3-19-5-8(10,11)9(12,13)14/h2-5H2,1H3
InChIKeyQEDJAWKXIFKAPH-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione (CID 99826315) is 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione is CN1CC(=O)N(CCOCC(F)(F)C(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is QEDJAWKXIFKAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5N2O3/c1-15-4-6(17)16(7(15)18)2-3-19-5-8(10,11)9(12,13)14/h2-5H2,1H3.
What are the key properties of 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione?
1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 290.19 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99826315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).