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

C11H19F3N2O3 — CID 46197824

IUPAC(2S,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-HNJRQZNRSA-N
MW284.28 g/mol
LogP1.44
Rot. Bonds

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

(2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 46197824) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid
PubChem CID46197824
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name(2S,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-HNJRQZNRSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid (CID 46197824) is (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S,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 (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is OCCGIFHHIZOBAM-HNJRQZNRSA-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 (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid?
(2S,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 (2S,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46197824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).