4,6-Difluoro-2,3-dihydro-1H-inden-1-one

C₉H₆F₂OCAS 162548-73-4168.14 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₆F₂O
Molar mass: 168.14 g/mol
Exact mass: 168.0387 Da
logP: 2.09Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

162548-73-4

SMILES

C1CC(=O)C2=C1C(=CC(=C2)F)F

InChIKey

HBVVKRYLYPANAE-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F2O/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2

Weigh it out

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Names and synonyms

1 names

4,6-Difluoro-1-indanone

Work with 4,6-Difluoro-2,3-dihydro-1H-inden-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

4-Fluoro-1-indanone699-99-057 % similar 6-Fluoro-1-indanone1481-32-953 % similar 6,8-Difluoro-2-tetralone843644-23-549 % similar 5-Fluoro-1-indanone700-84-549 % similar 7-Fluoro-1-tetralone2840-44-046 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-946 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-645 % similar 5,7-Difluorochroman-4-one844648-22-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,6-Difluoro-1-indanone161712-77-2 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-3

Elsewhere

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