N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide

C9H9F3N2O — CID 58833299

IUPACN-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O/c1-6(15)13-5-7-3-2-4-8(14-7)9(10,11)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyWHTNUUHDMMLHHL-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.74
Rot. Bonds2

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

N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide (PubChem CID 58833299) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
PubChem CID58833299
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O/c1-6(15)13-5-7-3-2-4-8(14-7)9(10,11)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyWHTNUUHDMMLHHL-UHFFFAOYSA-N
XLogP1.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide (CID 58833299) is N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is WHTNUUHDMMLHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-6(15)13-5-7-3-2-4-8(14-7)9(10,11)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide?
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 218.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 58833299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).