3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C9H13F3N2O2 — CID 79266374

IUPAC3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)CN(CC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O2/c1-2-3-4-14-7(15)5-13(8(14)16)6-9(10,11)12/h2-6H2,1H3
InChIKeyJCBXFGAOCDTSPG-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.61
Rot. Bonds4

About 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 79266374) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID79266374
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)CN(CC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O2/c1-2-3-4-14-7(15)5-13(8(14)16)6-9(10,11)12/h2-6H2,1H3
InChIKeyJCBXFGAOCDTSPG-UHFFFAOYSA-N
XLogP1.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 79266374) is 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is CCCCN1C(=O)CN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is JCBXFGAOCDTSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-2-3-4-14-7(15)5-13(8(14)16)6-9(10,11)12/h2-6H2,1H3.
What are the key properties of 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 238.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79266374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).