chempirical

3-Fluorobenzyl alcohol

C7H7FOCAS 456-47-3126.13 g/mol

Open in Covalent MOL file
HOF
AlcoholAryl halide

Properties

Molecular formula
C7H7FO
Molar mass
126.13 g/mol
Exact mass
126.0481 Da
Melting point
115–119 °C
Boiling point
201 °C
logP
1.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
456-47-3
SMILES
OCc1cccc(F)c1
InChIKey
QDHRSLFSDGCJFX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanol, 3-fluoro-
  • Benzyl alcohol, m-fluoro-
  • 3-Fluorobenzenemethanol
  • m-Fluorobenzyl alcohol
  • NSC 158273
  • (3-Fluorophenyl)methanol

Work with 3-Fluorobenzyl alcohol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Benzenedimethanol626-18-668 % similar 4-Fluorobenzyl alcohol459-56-356 % similar 3-Fluorobenzylamine100-82-356 % similar 3-Fluorobenzyl bromide456-41-756 % similar 3-Fluorobenzyl chloride456-42-856 % similar 3-Hydroxybenzyl alcohol620-24-656 % similar 3-Chlorobenzyl alcohol873-63-256 % similar 3-Bromobenzenemethanol15852-73-054 % similar

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

Same formula

3-Fluoro-5-methylphenol216976-31-7 2-Fluoroanisole321-28-8 3-Fluoro-2-methylphenol443-87-8 2-Fluorobenzyl alcohol446-51-5 4-Fluoro-3-methylphenol452-70-0 4-Fluoro-2-methylphenol452-72-2 3-Fluoro-4-methylphenol452-78-8 2-Fluoro-4-methylphenol452-81-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook