chempirical

3'-Trifluoromethylbiphenyl-3-carbaldehyde

C14H9F3OCAS 126091-24-5250.22 g/mol

Open in Covalent MOL file
FFFO
AldehydeAlkyl halide

Properties

Molecular formula
C14H9F3O
Molar mass
250.22 g/mol
Exact mass
250.0605 Da
logP
4.18Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
126091-24-5
SMILES
C1=CC(=CC(=C1)C2=CC(=CC=C2)C(F)(F)F)C=O
InChIKey
KSXHXCWTPJPLAT-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-9H

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Names and synonyms

1 names
  • 3'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde

Work with 3'-Trifluoromethylbiphenyl-3-carbaldehyde

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-(Trifluoromethyl)benzaldehyde454-89-780 % similar 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-965 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-059 % similar 3,5-Bis(trifluoromethyl)benzaldehyde401-95-652 % similar 4-(Trifluoromethyl)benzaldehyde455-19-652 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-351 % similar 3-(3-Pyridyl)benzaldehyde131231-24-850 % similar 3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde343604-07-950 % similar

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

Same formula

3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-4 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-3 Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-1 3-(Trifluoromethyl)benzophenone728-81-4 4′-Trifluoromethylbenzophenone728-86-9 4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-0

Elsewhere

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