chempirical

4-Fluorophenyl acetate

C8H7FO2CAS 405-51-6154.14 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
61 °C (at 2 Torr)
logP
1.75Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
405-51-6
SMILES
CC(=O)Oc1ccc(F)cc1
InChIKey
ZNOREXRHKZXVPC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Phenol, 4-fluoro-, 1-acetate
  • Phenol, p-fluoro-, acetate
  • Phenol, 4-fluoro-, acetate
  • p-Fluorophenyl acetate
  • 1-Acetoxy-4-fluorobenzene

Work with 4-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

3-Fluorophenyl acetate701-83-765 % similar 4-Methylphenyl acetate140-39-662 % similar Phenyl acetate122-79-261 % similar p-Aminophenyl acetate13871-68-660 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-158 % similar p-Phenylphenyl acetate148-86-758 % similar Bisphenol A diacetate10192-62-856 % similar 4-Ethylphenyl acetate3245-23-656 % 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 2-Fluoro-6-methoxybenzaldehyde146137-74-8 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 3-Fluorophenylacetic acid331-25-9

Elsewhere

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