N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide

C11H13F3N2O — CID 58129497

IUPACN-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O/c1-7(17)16-10(2,3)8-5-4-6-9(15-8)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChIKeyQGAKVTGRBIFULL-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.47
Rot. Bonds2

About N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide

N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide (PubChem CID 58129497) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide
PubChem CID58129497
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O/c1-7(17)16-10(2,3)8-5-4-6-9(15-8)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChIKeyQGAKVTGRBIFULL-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide (CID 58129497) is N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide?
The InChIKey is QGAKVTGRBIFULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-7(17)16-10(2,3)8-5-4-6-9(15-8)11(12,13)14/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide?
N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide has a molecular weight of 246.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 58129497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).