(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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

7 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
  • (alphaS)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol127852-28-2Enantiomer 1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol368-63-8Stereo not defined

Similar compounds

Alpha-methyl-3-(trifluoromethyl)benzyl alcohol454-91-168 % similar α-Methyl-4-(trifluoromethyl)benzenemethanol1737-26-466 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol87901-76-661 % similar (S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine127733-40-855 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-750 % similar 3,5-Bis(trifluoromethyl)phenol349-58-645 % similar 3,5-Bis(trifluoromethyl)toluene75462-61-245 % similar 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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