chempirical

2,4,6-Trifluorobenzyl alcohol

C7H5F3OCAS 118289-07-9162.11 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
118289-07-9
SMILES
C1=C(C=C(C(=C1F)CO)F)F
InChIKey
YJQDVBPZXNALEE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2

Weigh it out

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

Work with 2,4,6-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

2,6-Difluorobenzenemethanol19064-18-756 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-254 % similar 2,4-Difluorobenzenemethanol56456-47-454 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-948 % similar 2,5-Difluorobenzenemethanol75853-20-248 % similar 2,4,6-Trifluorophenol2268-17-948 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-947 % similar 1,2,3,5-Tetrafluorobenzene2367-82-046 % similar

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

Same formula

2,3,6-Trifluorobenzyl alcohol114152-19-1 4-(Trifluoromethyl)phenol402-45-9 2-(Trifluoromethyl)phenol444-30-4 (Trifluoromethoxy)benzene456-55-3 3-(Trifluoromethyl)phenol98-17-9

Elsewhere

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