3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione

C8H12F3N3O2 — CID 43752797

IUPAC3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C(CN)C(F)(F)F)C1=O
InChIInChI=1S/C8H12F3N3O2/c1-7(2)5(15)14(6(16)13-7)4(3-12)8(9,10)11/h4H,3,12H2,1-2H3,(H,13,16)
InChIKeyKPIRMLANMUMJKM-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.21
Rot. Bonds2

About 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione

3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43752797) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43752797
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C(CN)C(F)(F)F)C1=O
InChIInChI=1S/C8H12F3N3O2/c1-7(2)5(15)14(6(16)13-7)4(3-12)8(9,10)11/h4H,3,12H2,1-2H3,(H,13,16)
InChIKeyKPIRMLANMUMJKM-UHFFFAOYSA-N
XLogP0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.21
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-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione (CID 43752797) is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C(CN)C(F)(F)F)C1=O.
What is the InChIKey of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KPIRMLANMUMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-7(2)5(15)14(6(16)13-7)4(3-12)8(9,10)11/h4H,3,12H2,1-2H3,(H,13,16).
What are the key properties of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione?
3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 239.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43752797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).