chempirical

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

C8H6F2O2CAS 140675-42-9172.13 g/mol

Open in Covalent MOL file
OFFHO
Aryl halideKetonePhenol

Properties

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

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

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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 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 1-(2,4,5-Trifluorophenyl)ethanone129322-83-450 % similar 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-250 % similar 4-Acetyl-3-fluorophenol98619-07-950 % 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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