6-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one

C₁₀H₉FOCAS 29419-14-5164.18 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₉FO
Molar mass: 164.18 g/mol
Exact mass: 164.0637 Da
logP: 1.88Crippen 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 the 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

29419-14-5

SMILES

C1CC2=C(CC1=O)C=CC(=C2)F

InChIKey

QMXOEISLPMFMBQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H9FO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2

Weigh it out

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

Names and synonyms

1 names

6-Fluoro-2-tetralone

Work with 6-Fluoro-1,2,3,4-tetrahydronaphthalen-2-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

6-Chloro-2-tetralone17556-18-260 % similar 6-Bromo-2-tetralone4133-35-160 % similar 6,8-Difluoro-2-tetralone843644-23-557 % similar 2-Tetralone530-93-856 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-255 % similar 6-Fluoro-1-indanone1481-32-953 % similar 5-Fluoro-1-indanone700-84-553 % similar 7-Methoxy-2-tetralone4133-34-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Fluoro-1-tetralone2840-44-0 6-Fluoro-2-methylindan-1-one37794-19-7 5-Fluoro-2,3-dihydro-2-methyl-1H-inden-1-one41201-58-5 Cyclopropyl(4-fluorophenyl)methanone772-31-6

Elsewhere

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