chempirical

3-(Trifluoromethyl)benzhydrol

C14H11F3OCAS 728-80-3252.24 g/mol

Open in Covalent MOL file
FFFOH
AlcoholAlkyl halide

Properties

Molecular formula
C14H11F3O
Molar mass
252.24 g/mol
Exact mass
252.0762 Da
logP
3.79Crippen 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
728-80-3
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)O
InChIKey
KRMIEGLFYDWJOT-UHFFFAOYSA-N
InChI
InChI=1S/C14H11F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,13,18H

Weigh it out

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Work with 3-(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

3,4'-Bis(trifluoromethyl)benzhydrol203915-48-484 % similar Alpha-methyl-3-(trifluoromethyl)benzyl alcohol454-91-160 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol87901-76-658 % similar 1-((3-Trifluoromethyl)phenyl)propanol-1618-97-355 % similar Diphenylmethanol91-01-054 % similar 3-Chlorobenzhydrol63012-03-353 % similar 3,5-Bis(trifluoromethyl)benzene402-31-352 % similar (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-651 % similar

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

Same formula

4-(Trifluoromethyl)benzhydrol395-23-3 1-(Phenylmethoxy)-3-(trifluoromethyl)benzene70097-64-2 2-(Trifluoromethyl)benzhydrol727-98-0

Elsewhere

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