4-(Trifluoromethoxy)benzenemethanol

C8H7F3O2CAS 1736-74-9192.14 g/mol

Open in Covalent MOL file
HOOFFF
AlcoholAlkyl halideEther

Properties

Molecular formula
C8H7F3O2
Molar mass
192.14 g/mol
Exact mass
192.0398 Da
logP
2.08Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
1736-74-9
SMILES
OCc1ccc(OC(F)(F)F)cc1
InChIKey
ZLSOZAOCYJDPKX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanol, 4-(trifluoromethoxy)-
  • Benzyl alcohol, p-(trifluoromethoxy)-
  • 4-Trifluoromethoxybenzyl alcohol
  • [4-(Trifluoromethoxy)phenyl]methanol

Work with 4-(Trifluoromethoxy)benzenemethanol

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

[4-(Trifluoromethoxy)phenyl]methanethiol175278-03-260 % similar 4-Trifluoromethoxybenzyl bromide50824-05-060 % similar 4-(Trifluoromethoxy)benzyl chloride65796-00-160 % similar 4-(Trifluoromethoxy)benzylamine93919-56-360 % similar 2-[4-(Trifluoromethoxy)phenyl]acetic acid4315-07-556 % similar 4-(Trifluoromethoxy)phenol828-27-355 % similar 4-(Trifluoromethoxy)phenylacetonitrile49561-96-855 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)anisole142738-94-1 2-(Trifluoromethoxy)benzenemethanol175278-07-6 3-(Trifluoromethoxy)benzyl alcohol50823-90-0 1-Methoxy-4-(trifluoromethoxy)benzene710-18-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook