3-Fluoro-5-(trifluoromethyl)benzyl alcohol

C8H6F4OCAS 184970-29-4194.13 g/mol

Open in Covalent MOL file
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AlcoholAlkyl halideAryl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
184970-29-4
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)CO
InChIKey
LTWAIZVPDMHGOE-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3,13H,4H2

Weigh it out

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

Names and synonyms

1 names
  • [3-Fluoro-5-(trifluoromethyl)phenyl]methanol

Work with 3-Fluoro-5-(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

3,5-Bis(trifluoromethyl)benzenemethanol32707-89-474 % similar 3,5-Difluorobenzyl alcohol79538-20-863 % similar 3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-463 % similar 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-363 % similar 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile239087-12-857 % similar 3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-157 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-755 % similar 3-Fluoro-5-(trifluoromethyl)phenol172333-87-853 % 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 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-9 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-2 2-Fluoro-3-(trifluoromethyl)benzyl alcohol207981-45-1 4-Fluoro-2-(trifluoromethyl)benzyl alcohol220227-29-2 5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-0 2-Fluoro-5-(trifluoromethyl)anisole261951-78-4

Elsewhere

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