3'-Trifluoromethylbiphenyl-4-carbaldehyde

C14H9F3OCAS 100036-64-4250.22 g/mol

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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

Hazards

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

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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

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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

4'-(Trifluoromethyl)-4-biphenylcarbaldehyde90035-34-069 % similar 3-(Trifluoromethyl)benzaldehyde454-89-767 % similar 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-260 % similar 4-(Trifluoromethyl)benzaldehyde455-19-659 % similar 5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde52130-30-056 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-256 % similar 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-955 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-5 2'-Trifluoromethyl-biphenyl-4-carbaldehyde198205-95-7 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-0 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 2-[4-(Trifluoromethyl)phenyl]benzaldehyde84392-23-4

Elsewhere

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