chempirical

3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol

C17H8F12OCAS 87901-76-6456.23 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFOH
AlcoholAlkyl halide

Properties

Molecular formula
C17H8F12O
Molar mass
456.23 g/mol
Exact mass
456.0384 Da
logP
6.84Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87901-76-6
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O
InChIKey
DUCQGUCBWHWEBT-UHFFFAOYSA-N
InChI
InChI=1S/C17H8F12O/c18-14(19,20)9-1-7(2-10(5-9)15(21,22)23)13(30)8-3-11(16(24,25)26)6-12(4-8)17(27,28)29/h1-6,13,30H

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Names and synonyms

1 names
  • Bis[3,5-bis(trifluoromethyl)phenyl]methanol

Work with 3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol

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

(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol127852-28-261 % similar (αS)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol225920-05-861 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol368-63-861 % similar 3-(Trifluoromethyl)benzhydrol728-80-358 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar 3,4'-Bis(trifluoromethyl)benzhydrol203915-48-456 % similar 4-(Trifluoromethyl)benzhydrol395-23-353 % similar (S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine127733-40-850 % similar

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

Elsewhere

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