6,8-Difluoro-2-tetralone

C10H8F2OCAS 843644-23-5182.17 g/mol

Open in Covalent MOL file
OFF
Aryl halideKetone

Properties

Molecular formula
C10H8F2O
Molar mass
182.17 g/mol
Exact mass
182.0543 Da
logP
2.02Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
843644-23-5
SMILES
C1CC2=C(CC1=O)C(=CC(=C2)F)F
InChIKey
JDIYLARKCSUHBH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8F2O/c11-7-3-6-1-2-8(13)5-9(6)10(12)4-7/h3-4H,1-2,5H2

Weigh it out

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

Work with 6,8-Difluoro-2-tetralone

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-1,2,3,4-tetrahydronaphthalen-2-one29419-14-557 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-353 % similar 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-449 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-947 % similar 4,6-Difluorooxindole247564-57-444 % similar 2,3,5-Trifluorophenylacetic acid132992-28-043 % similar 2-Tetralone530-93-841 % similar 5-Fluoro-1-indanone700-84-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook