chempirical

2,3,6-Trifluorobenzyl alcohol

C7H5F3OCAS 114152-19-1162.11 g/mol

Open in Covalent MOL file
FHOFF
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

Identifiers

CAS number
114152-19-1
SMILES
C1=CC(=C(C(=C1F)CO)F)F
InChIKey
DWOWBLURUYIVOU-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3H2

Weigh it out

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

Work with 2,3,6-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

2,3,5,6-Tetrafluorobenzyl alcohol4084-38-264 % similar 2,6-Difluorobenzenemethanol19064-18-760 % similar 2-Chloro-3,6-difluorobenzenemethanol261762-44-157 % similar 2,3,6-Trifluorobenzenemethanamine230295-09-756 % similar 2,3-Difluorobenzyl alcohol75853-18-852 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-550 % similar 2,3,6-Trifluorophenylacetic acid114152-23-750 % similar Pentafluorobenzyl alcohol440-60-850 % similar

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

Same formula

2,4,6-Trifluorobenzyl alcohol118289-07-9 4-(Trifluoromethyl)phenol402-45-9 2-(Trifluoromethyl)phenol444-30-4 (Trifluoromethoxy)benzene456-55-3 3-(Trifluoromethyl)phenol98-17-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook