4-Fluoro-2-(trifluoromethyl)benzyl alcohol

C₈H₆F₄OCAS 220227-29-2194.13 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₆F₄O
Molar mass: 194.13 g/mol
Exact mass: 194.0355 Da
logP: 2.34Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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

220227-29-2

SMILES

C1=CC(=C(C=C1F)C(F)(F)F)CO

InChIKey

QCDWCMMCVRWROH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2

Weigh it out

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

Work with 4-Fluoro-2-(trifluoromethyl)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

2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-066 % similar (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine202522-22-364 % similar 4-Fluoro-2-(trifluoromethyl)benzyl bromide206860-48-264 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile80141-94-258 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-458 % similar 2-(Trifluoromethyl)benzenemethanol346-06-556 % similar 2,4-Difluorobenzenemethanol56456-47-456 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-755 % similar

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

Same formula

4-Fluoro-3-(trifluoromethyl)anisole127271-65-2 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-9 3-Fluoro-5-(trifluoromethyl)benzyl alcohol184970-29-4 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-9 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-2 2-Fluoro-3-(trifluoromethyl)benzyl alcohol207981-45-1 5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-0 2-Fluoro-5-(trifluoromethyl)anisole261951-78-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook