chempirical

2-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridin-4(1H)-one

C9H10F3NOCAS 1357476-66-4205.18 g/mol

Open in Covalent MOL file
OHNFFF
Alkyl halide

Properties

Molecular formula
C9H10F3NO
Molar mass
205.18 g/mol
Exact mass
205.0714 Da
logP
2.21Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
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
1357476-66-4
SMILES
CC(C)(C1=CC(=O)C=CN1)C(F)(F)F
InChIKey
CUCGKHLLFAWHAD-UHFFFAOYSA-N
InChI
InChI=1S/C9H10F3NO/c1-8(2,9(10,11)12)7-5-6(14)3-4-13-7/h3-5H,1-2H3,(H,13,14)

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Work with 2-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridin-4(1H)-one

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

2-(Trifluoromethyl)-4-hydroxypyridine170886-13-261 % similar 2-(1,1,1-Trifluoro-2-methylpropan-2-yl)-4H-pyran-4-one1357476-64-250 % similar 2-Fluoro-4-hydroxypyridine22282-69-547 % similar 4-Hydroxy-2-methylpyridine18615-86-643 % similar 2-Aminopyridin-4-ol33631-05-939 % similar 2-Bromo-4-hydroxypyridine36953-40-939 % similar 4-Hydroxypyridine-2-carboxylic acid22468-26-434 % similar 4-Hydroxypyridine108-96-330 % similar

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

Same formula

N-Ethyl-4-(trifluoromethoxy)aniline175278-20-3 N-Ethyl-2-(trifluoromethoxy)aniline175278-25-8

Elsewhere

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