chempirical

Pentafluoroanisole

C7H3F5OCAS 389-40-2198.09 g/mol

Open in Covalent MOL file
OFFFFF
Aryl halideEther

Properties

Molecular formula
C7H3F5O
Molar mass
198.09 g/mol
Exact mass
198.0104 Da
Density
1.496 g/mL (at 20 °C)
Melting point
−37 °C
Boiling point
138.5 °C
logP
2.39Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
389-40-2
SMILES
COc1c(F)c(F)c(F)c(F)c1F
InChIKey
ZRQUIRABLIQJRI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1,2,3,4,5-pentafluoro-6-methoxy-
  • Anisole, 2,3,4,5,6-pentafluoro-
  • Benzene, pentafluoromethoxy-
  • 1,2,3,4,5-Pentafluoro-6-methoxybenzene
  • 2,3,4,5,6-Pentafluoroanisole
  • Methyl pentafluorophenyl ether
  • Pentafluorophenyl methyl ether
  • Methoxypentafluorobenzene
  • NSC 21631

Work with Pentafluoroanisole

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

2,3,5,6-Tetrafluoroanisole2324-98-359 % similar 1,3-Difluoro-2-methoxybenzene437-82-142 % similar Hexafluorobenzene392-56-340 % similar 1,4-Bis(tert-butoxy)tetrafluorobenzene121088-09-339 % similar 1,2,3,4,5-Pentafluoro-6-(trimethoxysilyl)benzene223668-64-239 % similar Pentafluorophenyl acetate19220-93-038 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-538 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-138 % similar

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

Same formula

Pentafluorobenzyl alcohol440-60-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook