2,3,5-Trifluorobenzyl alcohol

C7H5F3OCAS 67640-33-9162.11 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAryl halide

Properties

Molecular formula
C7H5F3O
Molar mass
162.11 g/mol
Exact mass
162.0292 Da
logP
1.60Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
67640-33-9
SMILES
C1=C(C=C(C(=C1CO)F)F)F
InChIKey
IAYKYKBQMLBYAI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2

Weigh it out

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

Work with 2,3,5-Trifluorobenzyl 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

2,3,4,5-Tetrafluorobenzenemethanol53072-18-764 % similar 2,3,5-Trifluorobenzyl bromide226717-83-562 % similar (2,3,5-Trifluorophenyl)methanamine244022-72-860 % similar 2,4-Difluorobenzenemethanol56456-47-457 % similar 2,5-Difluorobenzenemethanol75853-20-257 % similar 1,2,3,5-Tetrafluorobenzene2367-82-056 % similar 2,3,5-Trifluorophenylacetic acid132992-28-054 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Trifluorobenzyl alcohol114152-19-1 2,4,6-Trifluorobenzyl alcohol118289-07-9 2,3,4-Trifluorobenzyl alcohol144284-24-2 2,4,5-Trifluorobenzyl alcohol144284-25-3 2,3,4-Trifluoroanisole203245-16-3 3,4,5-Trifluorobenzenemethanol220227-37-2 4-(Trifluoromethyl)phenol402-45-9 2-(Trifluoromethyl)phenol444-30-4

Elsewhere

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