5-Fluoro-1-indanone

C₉H₇FOCAS 700-84-5150.15 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
Boiling point: 61–66 °C (at NaN Torr)
logP: 1.95Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed87.2% of notifiers
H312 Harmful in contact with skin87.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled87.2% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

700-84-5

SMILES

O=C1CCc2cc(F)ccc21

InChIKey

WVPPBVAMKNQXJA-UHFFFAOYSA-N

InChI

InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

Weigh it out

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

Names and synonyms

4 names

1H-Inden-1-one, 5-fluoro-2,3-dihydro-
1-Indanone, 5-fluoro-
5-Fluoro-2,3-dihydro-1H-inden-1-one
5-Fluoro-2,3-dihydroinden-1-one

Work with 5-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-tetralone2840-44-060 % similar 5-Bromo-1-indanone34598-49-759 % similar 5-Hydroxy-1-indanone3470-49-359 % similar 5-Amino-2,3-dihydro-1H-inden-1-one3470-54-059 % similar 5-Chloro-1-indanone42348-86-759 % similar 5-Methyl-1-indanone4593-38-859 % similar 5-Iodo-1-indanone511533-38-359 % similar 5,6-Difluoro-1-indanone161712-77-258 % 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 7-Fluoroindan-1-one651735-59-0 4-Fluoro-1-indanone699-99-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook