chempirical

7-Fluoroindan-1-one

C9H7FOCAS 651735-59-0150.15 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C9H7FO
Molar mass
150.15 g/mol
Exact mass
150.0481 Da
logP
1.95Crippen estimate
Polar surface area
17.1 Ų
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
651735-59-0
SMILES
C1CC(=O)C2=C1C=CC=C2F
InChIKey
ASSCRDJQEHFKSX-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2

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Names and synonyms

1 names
  • 7-Fluoro-1-indanone

Work with 7-Fluoroindan-1-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

7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-461 % similar 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-661 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-357 % similar 2,6-Difluorophenacyl bromide56159-89-853 % similar 1-(2,6-Difluorophenyl)-1-propanone85068-31-153 % similar 4-Bromo-7-fluoro-2,3-dihydroinden-1-one1003048-72-350 % similar 3-(2-Fluorophenyl)propionic acid1643-26-149 % similar 8-Bromo-3,4-dihydro-2H-naphthalen-1-one651735-60-349 % similar

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

Same formula

6-Fluoro-1-indanone1481-32-9 3-(4-Fluorophenyl)-2-propenal24654-55-5 4-Fluoro-1-indanone699-99-0 5-Fluoro-1-indanone700-84-5

Elsewhere

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