5,7-Difluoro-2,3-dihydro-1H-inden-1-one

C₉H₆F₂OCAS 84315-25-3168.14 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
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84315-25-3

SMILES

O=C1CCc2cc(F)cc(F)c21

InChIKey

XWZGNWCKXLECBO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

1H-Inden-1-one, 5,7-difluoro-2,3-dihydro-
5,7-Difluoroindan-1-one
5,7-Difluoro-2,3-dihydro-1H-indene-1-one
5,7-Difluoro-1-indanone

Work with 5,7-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

7-Fluoroindan-1-one651735-59-057 % similar 5,7-Difluorochroman-4-one844648-22-257 % similar 5-Fluoro-1-indanone700-84-553 % similar 6,8-Difluoro-2-tetralone843644-23-553 % similar 6-Fluoro-1-indanone1481-32-949 % similar 2,4,6-Trifluorobenzoic acid28314-80-946 % similar 2',4',6'-Trifluoroacetophenone51788-77-346 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,6-Difluoro-1-indanone161712-77-2 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook