2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol

C11H15F3N2O — CID 82811107

IUPAC2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
SMILESCC(Nc1ccc(C(F)(F)F)nc1)C(C)(C)O
InChIInChI=1S/C11H15F3N2O/c1-7(10(2,3)17)16-8-4-5-9(15-6-8)11(12,13)14/h4-7,16-17H,1-3H3
InChIKeyLUBNYEQXYXXFEU-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.67
Rot. Bonds3

About 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol

2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol (PubChem CID 82811107) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
PubChem CID82811107
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
SMILESCC(Nc1ccc(C(F)(F)F)nc1)C(C)(C)O
InChIInChI=1S/C11H15F3N2O/c1-7(10(2,3)17)16-8-4-5-9(15-6-8)11(12,13)14/h4-7,16-17H,1-3H3
InChIKeyLUBNYEQXYXXFEU-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol (CID 82811107) is 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol is CC(Nc1ccc(C(F)(F)F)nc1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol?
The InChIKey is LUBNYEQXYXXFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(10(2,3)17)16-8-4-5-9(15-6-8)11(12,13)14/h4-7,16-17H,1-3H3.
What are the key properties of 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol?
2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol has a molecular weight of 248.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 82811107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).