chempirical

(αS)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol

C10H8F6OCAS 225920-05-8258.16 g/mol

Open in Covalent MOL file
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AlcoholAlkyl halide

Properties

Molecular formula
C10H8F6O
Molar mass
258.16 g/mol
Exact mass
258.0479 Da
logP
3.78Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
225920-05-8
SMILES
C[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
MMSCIQKQJVBPIR-YFKPBYRVSA-N
InChI
InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, (αS)-
  • (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
  • (S)-3,5-Bis (trifluoromethyl) phenethyl alcohol
  • (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol
  • (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
  • (S)-3′,5′-Bis(trifluoromethyl)-1-phenethanol

Work with (αS)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol

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

α-Methyl-4-(trifluoromethyl)benzenemethanol1737-26-466 % similar (S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine127733-40-855 % similar 3,5-Bis(trifluoromethyl)phenol349-58-645 % similar 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-343 % similar 3-Fluoro-α-methylbenzenemethanol402-63-141 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-241 % similar 3,5-Bis(trifluoromethyl)benzenemethanol32707-89-441 % similar 1-(4-Fluorophenyl)ethanol403-41-841 % similar

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

Same formula

(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol127852-28-2

Elsewhere

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