6,8-Difluoro-2-tetralone

C₁₀H₈F₂OCAS 843644-23-5182.17 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₈F₂O
Molar mass: 182.17 g/mol
Exact mass: 182.0543 Da
logP: 2.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

843644-23-5

SMILES

C1CC2=C(CC1=O)C(=CC(=C2)F)F

InChIKey

JDIYLARKCSUHBH-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F2O/c11-7-3-6-1-2-8(13)5-9(6)10(12)4-7/h3-4H,1-2,5H2

Weigh it out

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Work with 6,8-Difluoro-2-tetralone

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-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one29419-14-557 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-353 % similar 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-449 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-947 % similar 4,6-Difluorooxindole247564-57-444 % similar 2,3,5-Trifluorophenylacetic acid132992-28-043 % similar 2-Tetralone530-93-841 % similar 5-Fluoro-1-indanone700-84-539 % similar

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

Elsewhere

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