(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 25228670

IUPAC(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid
SMILESC[C@H]1N[C@@H](C(C)(C)C)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-6-7(12)11(5)8(10-6)9(2,3)4;3-2(4,5)1(6)7/h6,8,10H,1-5H3;(H,6,7)/t6-,8-;/m1./s1
InChIKeyOCCGIFHHIZOBAM-CIRBGYJCSA-N
MW284.28 g/mol
LogP1.44
Rot. Bonds

About (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid

(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 25228670) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid
PubChem CID25228670
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid
SMILESC[C@H]1N[C@@H](C(C)(C)C)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-6-7(12)11(5)8(10-6)9(2,3)4;3-2(4,5)1(6)7/h6,8,10H,1-5H3;(H,6,7)/t6-,8-;/m1./s1
InChIKeyOCCGIFHHIZOBAM-CIRBGYJCSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Trifluoroacetic acid--(2S)-2-tert-butyl-3-methylimidazolidin-4-one (1/1)
CID 16218127
4-Imidazolidinone, 2-(1,1-dimethylethyl)-3-methyl-, (2R)-, 2,2,2-trifluoroacetate (1:1)
CID 11207947
2-(4-(Aminomethyl)-2,5-dioxoimidazolidin-1-yl)acetic acid; trifluoroacetic acid
CID 132398910
(5S)-5-butyl-2,2,3-trimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid
CID 176436638
(2S,5S)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid
CID 176437501
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 53548188
(2R,5S)-2-(tert-Butyl)-3,5-dimethylimidazolidin-4-one 2,2,2-trifluoroacetate
CID 44190958
(2R)-2-tert-butyl-3-methylimidazolidin-1-ium-4-one;2,2,2-trifluoroacetate
CID 45790429
(R)-2-(tert-Butyl)-3-methyl-4-imidazolidinone trifluoroacetic acid
CID 53399067
(5R)-5-(1-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 66908013
(5R)-5-(2-aminoethyl)-3-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 69962135
5-Methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 172804529

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid (CID 25228670) is (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid is C[C@H]1N[C@@H](C(C)(C)C)N(C)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is OCCGIFHHIZOBAM-CIRBGYJCSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-6-7(12)11(5)8(10-6)9(2,3)4;3-2(4,5)1(6)7/h6,8,10H,1-5H3;(H,6,7)/t6-,8-;/m1./s1.
What are the key properties of (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25228670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).