1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one

C₈H₆F₂O₂CAS 140675-42-9172.13 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
logP: 1.87Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed37.5% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 8 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

140675-42-9

SMILES

CC(=O)C1=C(C(=CC(=C1)F)F)O

InChIKey

MCDJUVXLLXTCFP-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

Weigh it out

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

Names and synonyms

1 names

3',5'-Difluoro-2'-hydroxyacetophenone

Work with 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-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

1-(3-Fluoro-2-hydroxyphenyl)ethanone699-92-358 % similar 2',4',6'-Trifluoroacetophenone51788-77-358 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-857 % similar 1-(2,4-Difluorophenyl)ethanone364-83-057 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-154 % similar 2,4,6-Trifluorophenol2268-17-953 % similar 2′,4′,5′-Trifluoroacetophenone129322-83-450 % similar 4'-Fluoro-2'-hydroxyacetophenone1481-27-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 Methyl 2,6-difluorobenzoate13671-00-6 2,3-Difluorobenzeneacetic acid145689-41-4 4,5-Difluoro-2-methoxybenzaldehyde145742-34-3

Elsewhere

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