5,6-Difluoro-1-indanone

C₉H₆F₂OCAS 161712-77-2168.14 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 swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

161712-77-2

SMILES

C1CC(=O)C2=CC(=C(C=C21)F)F

InChIKey

OSJRTWXVMCRBKZ-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5,6-Difluoroindanone

Work with 5,6-Difluoro-1-indanone

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-indanone1481-32-958 % similar 5-Fluoro-1-indanone700-84-558 % similar 5,6-Dimethoxy-1-indanone2107-69-951 % similar 6-Chloro-1-indanone14548-38-049 % similar 6-Bromoindanone14548-39-149 % similar 6-Methyl-1-indanone24623-20-949 % similar 5-Bromo-1-indanone34598-49-749 % similar 5-Hydroxy-1-indanone3470-49-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-4 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-3

Elsewhere

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