6-Fluoro-2-methyl-4-chromanone

C₁₀H₉FO₂CAS 88754-96-5180.18 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₀H₉FO₂
Molar mass: 180.18 g/mol
Exact mass: 180.0587 Da
logP: 2.18Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

88754-96-5

SMILES

CC1CC(=O)C2=C(O1)C=CC(=C2)F

InChIKey

RPAIBTVEPAACRP-UHFFFAOYSA-N

InChI

InChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3

Weigh it out

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

Work with 6-Fluoro-2-methyl-4-chromanone

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-2,3-dihydro-4H-1-benzopyran-4-one66892-34-052 % similar 1-(2,5-Difluorophenyl)-1-propanone29112-90-143 % similar 7-Fluoro-4-chromanone113209-68-042 % similar 5-Fluoro-2-methoxyacetophenone445-82-942 % similar 6-Fluoro-1-indanone1481-32-942 % similar 6-Fluoro-2-methylindan-1-one37794-19-741 % similar 5-Fluoro-2-methoxybenzoic acid394-04-741 % similar 5'-Fluoro-2'-hydroxypropiophenone443-09-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

γ-(4-Fluorophenyl)-γ-butyrolactone51787-96-3

Elsewhere

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