chempirical

Pentafluorobenzyl alcohol

C7H3F5OCAS 440-60-8198.09 g/mol

Open in Covalent MOL file
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AlcoholAryl halide

Properties

Molecular formula
C7H3F5O
Molar mass
198.09 g/mol
Exact mass
198.0104 Da
Melting point
37.5 °C
Boiling point
114.5 °C
logP
1.87Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
440-60-8
SMILES
OCc1c(F)c(F)c(F)c(F)c1F
InChIKey
PGJYYCIOYBZTPU-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenemethanol, 2,3,4,5,6-pentafluoro-
  • Benzyl alcohol, 2,3,4,5,6-pentafluoro-
  • 2,3,4,5,6-Pentafluorobenzenemethanol
  • 2,3,4,5,6-Pentafluorobenzyl alcohol
  • (Pentafluorophenyl)methanol
  • (Hydroxymethyl)pentafluorobenzene
  • NSC 97003
  • (Perfluorophenyl)methanol
  • (2,3,4,5,6-Pentafluorophenyl)methanol

Work with Pentafluorobenzyl 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

4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-767 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-259 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-150 % similar Pentafluorobenzyl bromide1765-40-843 % similar 2,3,4,5,6-Pentafluorobenzyl chloride653-35-043 % similar 2,3,4,5-Tetrafluorobenzenemethanol53072-18-742 % similar 2,6-Difluorobenzenemethanol19064-18-742 % similar 2,4,6-Trifluorobenzyl alcohol118289-07-940 % similar

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

Same formula

Pentafluoroanisole389-40-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook