chempirical

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

C9H9F3O2CAS 1357476-64-2206.16 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halide

Properties

Molecular formula
C9H9F3O2
Molar mass
206.16 g/mol
Exact mass
206.0555 Da
logP
2.48Crippen estimate
Polar surface area
30.2 Ų
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
1357476-64-2
SMILES
CC(C)(C1=CC(=O)C=CO1)C(F)(F)F
InChIKey
MAXLUKUQVFCNSE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9F3O2/c1-8(2,9(10,11)12)7-5-6(13)3-4-14-7/h3-5H,1-2H3

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Work with 2-(1,1,1-Trifluoro-2-methylpropan-2-yl)-4H-pyran-4-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-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridin-4(1H)-one1357476-66-450 % similar 2-(Trifluoromethyl)-4-hydroxypyridine170886-13-230 % similar

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

Elsewhere

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