chempirical

Pentafluorophenol

C6HF5OCAS 771-61-9184.07 g/mol

Open in Covalent MOL file
HOFFFFF
Aryl halidePhenol

Properties

Molecular formula
C6HF5O
Molar mass
184.07 g/mol
Exact mass
183.9948 Da
Melting point
32.8 °C
Boiling point
145.6 °C
logP
2.09Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
771-61-9
SMILES
Oc1c(F)c(F)c(F)c(F)c1F
InChIKey
XBNGYFFABRKICK-UHFFFAOYSA-N
InChI
InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

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

Names and synonyms

7 names
  • Phenol, 2,3,4,5,6-pentafluoro-
  • Phenol, pentafluoro-
  • 2,3,4,5,6-Pentafluorophenol
  • Hydroxypentafluorobenzene
  • Perfluorophenol
  • Pentafluorohydroxybenzene
  • NSC 21627

Work with Pentafluorophenol

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

Tetrafluorohydroquinone771-63-192 % similar 2,3,5,6-Tetrafluorophenol769-39-153 % similar Hexafluorobenzene392-56-350 % similar 2,3,6-Trifluorophenol113798-74-643 % similar 1,2,3,4-Tetrafluoro-5,6-diiodobenzene2708-97-641 % similar Octafluoronaphthalene313-72-440 % similar Decafluorobiphenyl434-90-240 % similar Bromopentafluorobenzene344-04-735 % similar

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

Elsewhere

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