chempirical

3-Fluorophenyl acetate

C8H7FO2CAS 701-83-7154.14 g/mol

Open in Covalent MOL file
OOF
Aryl halideEster

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Boiling point
77–78 °C (at 13 Torr)
logP
1.75Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
701-83-7
SMILES
CC(=O)Oc1cccc(F)c1
InChIKey
IAWZWMGUTKRLQB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Phenol, 3-fluoro-, 1-acetate
  • Phenol, m-fluoro-, acetate
  • Phenol, 3-fluoro-, acetate
  • Acetic acid 3-fluorophenyl ester
  • m-Fluorophenyl acetate
  • 1-Acetoxy-3-fluorobenzene

Work with 3-Fluorophenyl acetate

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-Dihydroxybenzene diacetate108-58-775 % similar 4-Fluorophenyl acetate405-51-665 % similar 3-Methylphenyl acetate122-46-364 % similar Acetylresorcinol102-29-462 % similar Phenyl acetate122-79-260 % similar 1-[3-(Acetyloxy)phenyl]ethanone2454-35-560 % similar 3-(Acetyloxy)benzaldehyde34231-78-258 % similar 3-(Acetyloxy)benzoic acid6304-89-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 3-Fluorophenylacetic acid331-25-9 2-Fluoro-4-methoxybenzaldehyde331-64-6

Elsewhere

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