3,5-Bis(trifluoromethyl)benzaldehyde

C₉H₄F₆OCAS 401-95-6242.12 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₉H₄F₆O
Molar mass: 242.12 g/mol
Exact mass: 242.0166 Da
logP: 3.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

401-95-6

SMILES

O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIKey

LDWLIXZSDPXYDR-UHFFFAOYSA-N

InChI

InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 3,5-bis(trifluoromethyl)-
3,5-Ditrifluoromethylbenzaldehyde
3,5-(Trifluoromethyl)benzaldehyde

Work with 3,5-Bis(trifluoromethyl)benzaldehyde

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)benzaldehyde454-89-764 % similar 4-(Trifluoromethyl)benzaldehyde455-19-662 % similar 1-Ethenyl-3,5-bis(trifluoromethyl)benzene349-59-756 % similar 4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-055 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-552 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-450 % similar 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-947 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-446 % similar

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

Same formula

2,5-Bis(trifluoromethyl)benzaldehyde395-64-2

Elsewhere

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