1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone

C₈H₆F₃NOCAS 358780-14-0189.14 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₈H₆F₃NO
Molar mass: 189.14 g/mol
Exact mass: 189.0401 Da
logP: 2.30Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

358780-14-0

SMILES

CC(=O)C1=CN=C(C=C1)C(F)(F)F

InChIKey

NAUKVLRFGMDIAN-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-4H,1H3

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Names and synonyms

1 names

1-[6-(Trifluoromethyl)pyridin-3-yl]ethan-1-one

Work with 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Trifluoromethylnicotinic acid231291-22-863 % similar 6-(Trifluoromethyl)nicotinoyl chloride358780-13-963 % similar Methyl 6-(trifluoromethyl)nicotinate221313-10-662 % similar 1-(4-(Trifluoromethyl)phenyl)ethan-1-one709-63-758 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-057 % similar 1-(6-Methyl-3-pyridinyl)ethanone36357-38-756 % similar 1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-454 % similar 2-Chloro-5-acetylpyridine55676-22-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

m-(Trifluoromethyl)benzamide1801-10-1 4-(Trifluoromethyl)benzamide1891-90-3 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-2 2-(Trifluoromethyl)benzamide360-64-5 3-(Trifluoromethyl)benzaldoxime368-83-2 2,2,2-Trifluoro-N-phenylacetamide404-24-0

Elsewhere

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