2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

C12H17F3N2O6 — CID 157252228

IUPAC2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1C(=O)N(CCCC(=O)O)C(=O)C1(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N2O4.C2HF3O2/c1-10(2)8(15)12(9(16)11(10)3)6-4-5-7(13)14;3-2(4,5)1(6)7/h4-6H2,1-3H3,(H,13,14);(H,6,7)
InChIKeyAWLYZXKFEKUQMT-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.16
Rot. Bonds4

About 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (PubChem CID 157252228) has the molecular formula C12H17F3N2O6 and a molecular weight of 342.27 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
PubChem CID157252228
Molecular FormulaC12H17F3N2O6
Molecular Weight342.27 g/mol
Exact Mass342.10
IUPAC Name2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1C(=O)N(CCCC(=O)O)C(=O)C1(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N2O4.C2HF3O2/c1-10(2)8(15)12(9(16)11(10)3)6-4-5-7(13)14;3-2(4,5)1(6)7/h4-6H2,1-3H3,(H,13,14);(H,6,7)
InChIKeyAWLYZXKFEKUQMT-UHFFFAOYSA-N
XLogP1.16
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The IUPAC name of 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (CID 157252228) is 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is CN1C(=O)N(CCCC(=O)O)C(=O)C1(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The InChIKey is AWLYZXKFEKUQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4.C2HF3O2/c1-10(2)8(15)12(9(16)11(10)3)6-4-5-7(13)14;3-2(4,5)1(6)7/h4-6H2,1-3H3,(H,13,14);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid has a molecular weight of 342.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 157252228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).