2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

C9H9F3N2O — CID 102709315

IUPAC2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCNCC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-13-5-8(15)6-4-14-3-2-7(6)9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyVHUHNJJZHNHTLH-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.50
Rot. Bonds3

About 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 102709315) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID102709315
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCNCC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-13-5-8(15)6-4-14-3-2-7(6)9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyVHUHNJJZHNHTLH-UHFFFAOYSA-N
XLogP1.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
3-amino-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 102709471
2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 58243710
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707640
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 102709315) is 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is CNCC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is VHUHNJJZHNHTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-13-5-8(15)6-4-14-3-2-7(6)9(10,11)12/h2-4,13H,5H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 218.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 102709315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).