2'-Fluoro-3'-(trifluoromethyl)propiophenone

C₁₀H₈F₄OCAS 207986-23-0220.17 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₁₀H₈F₄O
Molar mass: 220.17 g/mol
Exact mass: 220.0511 Da
logP: 3.44Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

207986-23-0

SMILES

CCC(=O)c1cccc(C(F)(F)F)c1F

InChIKey

GUQSGIYHKUPVTH-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F4O/c1-2-8(15)6-4-3-5-7(9(6)11)10(12,13)14/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

2 names

1-[2-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone
1-Propanone, 1-[2-fluoro-3-(trifluoromethyl)phenyl]-

Work with 2'-Fluoro-3'-(trifluoromethyl)propiophenone

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

2-(Trifluoromethyl)propiophenone16185-96-974 % similar 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one207853-63-262 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-657 % similar 2-Fluoro-3-(trifluoromethyl)benzamide207853-60-957 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-757 % similar Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, sodium salt (1:1)1701446-41-457 % similar 2-Fluoro-3-(trifluoromethyl)benzophenone207853-70-155 % similar 4-(Trifluoromethyl)-1-indanone68755-42-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-5-(trifluoromethyl)propiophenone207974-18-3 3'-Fluoro-5'-(trifluoromethyl)propiophenone207974-20-7 2'-Fluoro-4'-(trifluoromethyl)propiophenone208173-16-4

Elsewhere

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