1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol

C₁₀H₈F₆OCAS 368-63-8258.16 g/mol

Open in Covalent MOL file

Alcohol Alkyl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

368-63-8

SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O

InChIKey

MMSCIQKQJVBPIR-UHFFFAOYSA-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

Weigh it out

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

Names and synonyms

1 names

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol

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)benzenemethanol127852-28-2Defined stereoisomer (αS)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol225920-05-8Defined stereoisomer

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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