2,3,4,5,6-Pentafluoro-α-phenylbenzenemethanol

C13H7F5OCAS 1944-05-4274.19 g/mol

Open in Covalent MOL file
HOFFFFF
AlcoholAryl halide

Properties

Molecular formula
C13H7F5O
Molar mass
274.19 g/mol
Exact mass
274.0417 Da
Melting point
47 °C
Boiling point
115–117 °C (at 1.7 Torr)
logP
3.46Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1944-05-4
SMILES
OC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIKey
PMIIFKURPQGSMI-UHFFFAOYSA-N
InChI
InChI=1S/C13H7F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5,13,19H

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanol, 2,3,4,5,6-pentafluoro-α-phenyl-
  • Benzhydrol, 2,3,4,5,6-pentafluoro-
  • 2,3,4,5,6-Pentafluorobenzhydrol
  • (Pentafluorophenyl)(phenyl)methanol
  • 1-Phenyl-1-(2,3,4,5,6-pentafluorophenyl)methanol
  • (2,3,4,5,6-Pentafluorophenyl)-phenylmethanol
  • 2,3,4,5,6-Pentafluorobenzhydryl alcohol

Work with 2,3,4,5,6-Pentafluoro-α-phenylbenzenemethanol

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

Bis(pentafluorophenyl)methanol1766-76-358 % similar Diphenylmethanol91-01-058 % similar 4-Fluoro-α-phenylbenzenemethanol365-22-055 % similar 4-(Trifluoromethyl)benzhydrol395-23-345 % similar 4-Chlorobenzhydrol119-56-245 % similar 4-Methylbenzhydrol1517-63-145 % similar p-Bromobenzhydryl alcohol29334-16-545 % similar 2-(Trifluoromethyl)benzhydrol727-98-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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