3'-Trifluoromethylbiphenyl-4-carbaldehyde

C₁₄H₉F₃OCAS 100036-64-4250.22 g/mol

Open in Covalent MOL file

Aldehyde Alkyl 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

100036-64-4

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C=O

InChIKey

WRWNNARTYPYHEC-UHFFFAOYSA-N

InChI

InChI=1S/C14H9F3O/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-9H

Weigh it out

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

Names and synonyms

1 names

3'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde

Work with 3'-Trifluoromethylbiphenyl-4-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)benzaldehyde454-89-767 % similar 4-(Trifluoromethyl)benzaldehyde455-19-659 % similar 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-955 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-853 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-250 % similar 3,5-Bis(trifluoromethyl)benzaldehyde401-95-650 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-049 % similar

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

Same formula

3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-5 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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