1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one

C12H17F3N2O — CID 82147765

IUPAC1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCC(N)(CC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O/c1-3-11(16,4-2)8-17-7-9(12(13,14)15)5-6-10(17)18/h5-7H,3-4,8,16H2,1-2H3
InChIKeyJFXHLLMYSASSFU-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 82147765) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID82147765
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCC(N)(CC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O/c1-3-11(16,4-2)8-17-7-9(12(13,14)15)5-6-10(17)18/h5-7H,3-4,8,16H2,1-2H3
InChIKeyJFXHLLMYSASSFU-UHFFFAOYSA-N
XLogP2.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one (CID 82147765) is 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one is CCC(N)(CC)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JFXHLLMYSASSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-11(16,4-2)8-17-7-9(12(13,14)15)5-6-10(17)18/h5-7H,3-4,8,16H2,1-2H3.
What are the key properties of 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 262.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-ethylbutyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 82147765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).