3-(Trifluoromethoxy)benzyl alcohol

C8H7F3O2CAS 50823-90-0192.14 g/mol

Open in Covalent MOL file
OFFFOH
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 4 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
50823-90-0
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CO
InChIKey
XRGSSROOYSFMMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2

Weigh it out

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

Work with 3-(Trifluoromethoxy)benzyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-065 % similar 3-(Trifluoromethoxy)benzylamine93071-75-165 % similar 3-(Trifluoromethoxy)phenylacetic Acid203302-97-061 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-859 % similar 3-(Trifluoromethoxy)hydrocinnamic acid168833-77-057 % similar 3-Phenoxybenzyl alcohol13826-35-256 % similar 3-Methoxybenzyl alcohol6971-51-356 % similar 3-(Trifluoromethoxy)phenol827-99-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)anisole142738-94-1 4-(Trifluoromethoxy)benzenemethanol1736-74-9 2-(Trifluoromethoxy)benzenemethanol175278-07-6 1-Methoxy-4-(trifluoromethoxy)benzene710-18-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook