3-(Trifluoromethoxy)benzyl alcohol

C₈H₇F₃O₂CAS 50823-90-0192.14 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₈H₇F₃O₂
Molar mass: 192.14 g/mol
Exact mass: 192.0398 Da
logP: 2.08Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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)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 3-(Trifluoromethoxy)fluorobenzene1077-01-655 % 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

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