chempirical

2-Fluoro-3-(trifluoromethyl)benzyl alcohol

C8H6F4OCAS 207981-45-1194.13 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

Identifiers

CAS number
207981-45-1
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)F)CO
InChIKey
KKHMGVIWWRPCNH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3,13H,4H2

Weigh it out

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

Work with 2-Fluoro-3-(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-(Trifluoromethyl)benzenemethanol346-06-567 % similar 1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-064 % similar 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-064 % similar 2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-664 % similar 2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile239087-10-658 % similar 2,3-Difluorobenzyl alcohol75853-18-856 % similar 2-Fluoro-3-(trifluoromethyl)phenol207291-85-855 % similar 3-Bromo-2-fluorobenzyl Alcohol261723-32-455 % 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 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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