3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione

C7H10F3N3O2 — CID 43753192

IUPAC3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione
SMILESNCCC(N1C(=O)CNC1=O)C(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4(1-2-11)13-5(14)3-12-6(13)15/h4H,1-3,11H2,(H,12,15)
InChIKeyFDHWUHCUIJMTPP-UHFFFAOYSA-N
MW225.17 g/mol
LogP-0.18
Rot. Bonds3

About 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione

3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione (PubChem CID 43753192) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione
PubChem CID43753192
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione
SMILESNCCC(N1C(=O)CNC1=O)C(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4(1-2-11)13-5(14)3-12-6(13)15/h4H,1-3,11H2,(H,12,15)
InChIKeyFDHWUHCUIJMTPP-UHFFFAOYSA-N
XLogP-0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
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-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione (CID 43753192) is 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione is NCCC(N1C(=O)CNC1=O)C(F)(F)F.
What is the InChIKey of 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione?
The InChIKey is FDHWUHCUIJMTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)4(1-2-11)13-5(14)3-12-6(13)15/h4H,1-3,11H2,(H,12,15).
What are the key properties of 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione?
3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione has a molecular weight of 225.17 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,1,1-trifluorobutan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 43753192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).