2,4-Bis(trifluoromethyl)benzyl alcohol

C₉H₆F₆OCAS 143158-15-0244.14 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₆F₆O
Molar mass: 244.14 g/mol
Exact mass: 244.0323 Da
logP: 3.22Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

143158-15-0

SMILES

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CO

InChIKey

NDHDRXKQSOFDNV-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-3,16H,4H2

Weigh it out

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

Work with 2,4-Bis(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-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-966 % similar 4-Fluoro-2-(trifluoromethyl)benzyl alcohol220227-29-266 % similar 2-Chloro-4-(trifluoromethyl)benzenemethanol56456-51-064 % similar 2,4-Bis(trifluoromethyl)benzyl bromide140690-56-863 % similar 2,4-Bis(trifluoromethyl)benzyl chloride195136-46-063 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-261 % similar 2-(Trifluoromethyl)benzenemethanol346-06-558 % similar 2,4-Bis(trifluoromethyl)phenylacetic acid177952-39-557 % similar

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

Same formula

2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-3 3,5-Bis(trifluoromethyl)benzenemethanol32707-89-4 3,5-Bis(trifluoromethyl)anisole349-60-0 α,α-Bis(trifluoromethyl)benzenemethanol718-64-9

Elsewhere

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