2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 53399067

IUPAC2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CNC1C(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-8(2,3)7-9-5-6(11)10(7)4;3-2(4,5)1(6)7/h7,9H,5H2,1-4H3;(H,6,7)
InChIKeyHKHKOEMMPVPVOS-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.05
Rot. Bonds

About 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid

2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 53399067) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid
PubChem CID53399067
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CNC1C(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-8(2,3)7-9-5-6(11)10(7)4;3-2(4,5)1(6)7/h7,9H,5H2,1-4H3;(H,6,7)
InChIKeyHKHKOEMMPVPVOS-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid (CID 53399067) is 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid is CN1C(=O)CNC1C(C)(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is HKHKOEMMPVPVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-8(2,3)7-9-5-6(11)10(7)4;3-2(4,5)1(6)7/h7,9H,5H2,1-4H3;(H,6,7).
What are the key properties of 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylimidazolidin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53399067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).