5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde

C₁₂H₇F₃O₂CAS 52130-30-0240.18 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₁₂H₇F₃O₂
Molar mass: 240.18 g/mol
Exact mass: 240.0398 Da
logP: 3.78Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
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

52130-30-0

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C=O

InChIKey

MRVWKXZQBOFMAW-UHFFFAOYSA-N

InChI

InChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H

Weigh it out

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Names and synonyms

1 names

5-(3-(Trifluoromethyl)phenyl)furfural

Work with 5-(3-Trifluoromethyl-phenyl)-furan-2-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

5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-760 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-557 % similar 5-Phenyl-2-furaldehyde13803-39-957 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-456 % similar 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid54022-99-054 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-152 % similar 3-(Trifluoromethyl)benzaldehyde454-89-751 % similar 5-(4-Chlorophenyl)-2-furaldehyde34035-03-549 % similar

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

Elsewhere

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