6-Fluoro-1-indanone

C₉H₇FOCAS 1481-32-9150.15 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₇FO
Molar mass: 150.15 g/mol
Exact mass: 150.0481 Da
logP: 1.95Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed87% of notifiers
H315 Causes skin irritation15.2% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H335 May cause respiratory irritation13% of notifiers

Aggregated from 46 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

1481-32-9

SMILES

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

InChIKey

LVUUCFIQQHEFEJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7FO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2

Weigh it out

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

Work with 6-Fluoro-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

7-Fluoro-1-tetralone2840-44-081 % similar 6-Chloro-1-indanone14548-38-059 % similar 6-Bromoindanone14548-39-159 % similar 6-Methyl-1-indanone24623-20-959 % similar 6-Hydroxy-1-indanone62803-47-859 % similar 5,6-Difluoro-1-indanone161712-77-258 % similar 6-Methoxy-1-indanone13623-25-154 % similar 6-Fluoro-2,3-dihydro-4H-1-benzothiopyran-4-one21243-18-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Fluorophenyl)-2-propenal24654-55-5 7-Fluoroindan-1-one651735-59-0 4-Fluoro-1-indanone699-99-0 5-Fluoro-1-indanone700-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook