N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C10H11F3N2O — CID 68813957

IUPACN-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O/c1-6(15-7(2)16)8-3-4-9(14-5-8)10(11,12)13/h3-6H,1-2H3,(H,15,16)
InChIKeyNXOJWJQYWUHWDO-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.30
Rot. Bonds2

About N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 68813957) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID68813957
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC NameN-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O/c1-6(15-7(2)16)8-3-4-9(14-5-8)10(11,12)13/h3-6H,1-2H3,(H,15,16)
InChIKeyNXOJWJQYWUHWDO-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167794775
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
2-oxo-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1H-pyridine-4-carboxamide
CID 155955914
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 167853535
N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide
CID 155961645
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167919378
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 68813957) is N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is NXOJWJQYWUHWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6(15-7(2)16)8-3-4-9(14-5-8)10(11,12)13/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 232.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 68813957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).